Page last updated: 2024-12-09

2-(1H-benzimidazol-2-yl)-1-(3-nitrophenyl)ethanone

Description Research Excerpts Clinical Trials Roles Classes Pathways Study Profile Bioassays Related Drugs Related Conditions Protein Interactions Research Growth Market Indicators

## 2-(1H-benzimidazol-2-yl)-1-(3-nitrophenyl)ethanone: Structure and Importance in Research

**2-(1H-benzimidazol-2-yl)-1-(3-nitrophenyl)ethanone** is a chemical compound with the following characteristics:

* **Structure:** It consists of a benzimidazole ring linked to a phenylethanone (acetophenone) molecule. The phenyl ring in the acetophenone is substituted with a nitro group at the meta position (3-nitrophenyl).
* **Properties:** It is a solid compound with a molecular weight of 267.24 g/mol. Its exact physical and chemical properties are not readily available in public databases.

**Importance in Research:**

While the exact research applications of this specific compound may not be widely documented, its structure suggests its potential importance in areas such as:

* **Medicinal Chemistry:** Benzimidazole derivatives are known for their diverse biological activities, including anti-cancer, anti-viral, anti-bacterial, and anti-fungal properties. The presence of the nitro group can influence its interactions with biological targets and potentially enhance its efficacy.
* **Material Science:** The compound's aromatic ring system and the nitro group could contribute to its potential use in material science, possibly as a building block for polymers, dyes, or other functional materials.
* **Synthetic Chemistry:** Its synthesis and subsequent modification could be used to create new benzimidazole derivatives with interesting properties, furthering our understanding of this important class of compounds.

**Further Research:**

To understand the specific importance of 2-(1H-benzimidazol-2-yl)-1-(3-nitrophenyl)ethanone, further research is needed. This might involve:

* **Biological activity testing:** Evaluating the compound's effect on different cell lines and biological systems.
* **Chemical modification:** Synthesizing and testing derivatives with variations in the benzimidazole ring, the acetophenone moiety, or the nitro group position.
* **Structure-activity relationship studies:** Exploring how structural modifications affect its biological activity or physicochemical properties.

**In summary:** 2-(1H-benzimidazol-2-yl)-1-(3-nitrophenyl)ethanone is a compound with a structure suggestive of potential biological activity and possible applications in material science and synthetic chemistry. Further research is needed to explore its full potential and unlock its specific role in scientific advancements.

Cross-References

ID SourceID
PubMed CID2388900
CHEMBL ID1418175
CHEBI ID105862

Synonyms (13)

Synonym
smr000348001
MLS001004471
CHEBI:105862
AKOS000115172
2-(1h-benzimidazol-2-yl)-1-(3-nitrophenyl)ethanone
EN300-01439
554405-15-1
2-(1h-1,3-benzodiazol-2-yl)-1-(3-nitrophenyl)ethan-1-one
2-(1h-benzoimidazol-2-yl)-1-(3-nitro-phenyl)-ethanone
AB00648423-02
CHEMBL1418175
Q27183648
CS-0218587
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
aromatic ketoneA ketone in which the carbonyl group is attached to an aromatic ring.
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Protein Targets (20)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, TYROSYL-DNA PHOSPHODIESTERASEHomo sapiens (human)Potency25.11890.004023.8416100.0000AID485290
Chain A, JmjC domain-containing histone demethylation protein 3AHomo sapiens (human)Potency50.11870.631035.7641100.0000AID504339
Chain A, 2-oxoglutarate OxygenaseHomo sapiens (human)Potency28.18380.177814.390939.8107AID2147
LuciferasePhotinus pyralis (common eastern firefly)Potency23.93410.007215.758889.3584AID588342
glp-1 receptor, partialHomo sapiens (human)Potency28.18380.01846.806014.1254AID624417
phosphopantetheinyl transferaseBacillus subtilisPotency14.12540.141337.9142100.0000AID1490
ATAD5 protein, partialHomo sapiens (human)Potency4.10780.004110.890331.5287AID504467
TDP1 proteinHomo sapiens (human)Potency3.28600.000811.382244.6684AID686978; AID686979
Microtubule-associated protein tauHomo sapiens (human)Potency12.60280.180013.557439.8107AID1460; AID1468
Smad3Homo sapiens (human)Potency10.00000.00527.809829.0929AID588855
apical membrane antigen 1, AMA1Plasmodium falciparum 3D7Potency25.11890.707912.194339.8107AID720542
aldehyde dehydrogenase 1 family, member A1Homo sapiens (human)Potency35.48130.011212.4002100.0000AID1030
PINK1Homo sapiens (human)Potency14.12542.818418.895944.6684AID624263
ParkinHomo sapiens (human)Potency14.12540.819914.830644.6684AID624263
bromodomain adjacent to zinc finger domain 2BHomo sapiens (human)Potency79.43280.707936.904389.1251AID504333
NPC intracellular cholesterol transporter 1 precursorHomo sapiens (human)Potency3.16230.01262.451825.0177AID485313
nuclear factor erythroid 2-related factor 2 isoform 2Homo sapiens (human)Potency23.10930.00419.984825.9290AID504444
DNA polymerase iota isoform a (long)Homo sapiens (human)Potency70.79460.050127.073689.1251AID588590
gemininHomo sapiens (human)Potency12.83210.004611.374133.4983AID624296; AID624297
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Other Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
MSHDrosophila melanogaster (fruit fly)AC505.45000.20909.578848.6900AID743444
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (12)

Assay IDTitleYearJournalArticle
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2006Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5
Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2006Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5
Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2006Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5
Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID504812Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign2010Endocrinology, Jul, Volume: 151, Issue:7
A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID504810Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign2010Endocrinology, Jul, Volume: 151, Issue:7
A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (5)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's0 (0.00)18.2507
2000's1 (20.00)29.6817
2010's3 (60.00)24.3611
2020's1 (20.00)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 12.56

According to the monthly volume, diversity, and competition of internet searches for this compound, as well the volume and growth of publications, there is estimated to be weak demand-to-supply ratio for research on this compound.

MetricThis Compound (vs All)
Research Demand Index12.56 (24.57)
Research Supply Index1.79 (2.92)
Research Growth Index4.36 (4.65)
Search Engine Demand Index0.00 (26.88)
Search Engine Supply Index0.00 (0.95)

This Compound (12.56)

All Compounds (24.57)

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews0 (0.00%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other5 (100.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]