2-(benzimidazol-1-yl)-N-(3-nitrophenyl)acetamide

C15H12N4O3 — CID 3116809

IUPAC2-(benzimidazol-1-yl)-N-(3-nitrophenyl)acetamide
SMILESO=C(Cn1cnc2ccccc21)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H12N4O3/c20-15(17-11-4-3-5-12(8-11)19(21)22)9-18-10-16-13-6-1-2-7-14(13)18/h1-8,10H,9H2,(H,17,20)
InChIKeyONERNRLTUVTLQG-UHFFFAOYSA-N
MW296.29 g/mol
LogP2.58
Rot. Bonds4

About 2-(benzimidazol-1-yl)-N-(3-nitrophenyl)acetamide

2-(benzimidazol-1-yl)-N-(3-nitrophenyl)acetamide (PubChem CID 3116809) has the molecular formula C15H12N4O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-(3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-(3-nitrophenyl)acetamide
PubChem CID3116809
Molecular FormulaC15H12N4O3
Molecular Weight296.29 g/mol
Exact Mass296.09
IUPAC Name2-(benzimidazol-1-yl)-N-(3-nitrophenyl)acetamide
SMILESO=C(Cn1cnc2ccccc21)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H12N4O3/c20-15(17-11-4-3-5-12(8-11)19(21)22)9-18-10-16-13-6-1-2-7-14(13)18/h1-8,10H,9H2,(H,17,20)
InChIKeyONERNRLTUVTLQG-UHFFFAOYSA-N
XLogP2.58
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(benzimidazol-1-yl)-N-(3-nitrophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1H-benzimidazol-1-yl)acetohydrazide
CID 1540408
3-(1H-benzimidazol-1-yl)propanamide
CID 639428
1-(2,4-Dinitrophenyl)benzimidazole
CID 2831910
5-Nitro-1-phenylbenzimidazole
CID 739094
1-(2-nitrophenyl)-1H-1,3-benzodiazole
CID 794657
N-[4-(1-Methyl-1H-benzoimidazol-2-yl)-furazan-3-yl]-acetamide
CID 594201
1-[4-[(1-Methyl-5-nitrobenzimidazol-2-yl)methyl]piperazin-1-yl]ethanone
CID 938744
1-{4-[(1-methyl-5-nitro-1H-benzimidazol-2-yl)methyl]piperazin-1-yl}butan-1-one
CID 4886315
N-(1-phenylbenzimidazol-5-yl)acetamide
CID 739378
5-nitro-1-(2-phenylethyl)-1H-benzimidazole
CID 1251032
1-Ethyl-5-nitro-1H-benzo[D]imidazole
CID 3456454
2-[2-(4-Amino-1,2,5-oxadiazol-3-yl)-1H-benzimidazol-1-yl]-N-(3,4-difluorophenyl)acetamide
CID 628691

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-(3-nitrophenyl)acetamide?
The IUPAC name of 2-(benzimidazol-1-yl)-N-(3-nitrophenyl)acetamide (CID 3116809) is 2-(benzimidazol-1-yl)-N-(3-nitrophenyl)acetamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-(3-nitrophenyl)acetamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-(3-nitrophenyl)acetamide is O=C(Cn1cnc2ccccc21)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-(3-nitrophenyl)acetamide?
The InChIKey is ONERNRLTUVTLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O3/c20-15(17-11-4-3-5-12(8-11)19(21)22)9-18-10-16-13-6-1-2-7-14(13)18/h1-8,10H,9H2,(H,17,20).
What are the key properties of 2-(benzimidazol-1-yl)-N-(3-nitrophenyl)acetamide?
2-(benzimidazol-1-yl)-N-(3-nitrophenyl)acetamide has a molecular weight of 296.29 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N-(3-nitrophenyl)acetamide is sourced from PubChem (CID 3116809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).