N-(3-acetylphenyl)-1H-benzimidazole-2-carboxamide

C16H13N3O2 — CID 110468819

IUPACN-(3-acetylphenyl)-1H-benzimidazole-2-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C16H13N3O2/c1-10(20)11-5-4-6-12(9-11)17-16(21)15-18-13-7-2-3-8-14(13)19-15/h2-9H,1H3,(H,17,21)(H,18,19)
InChIKeyLQAFFYIORDGZEX-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.02
Rot. Bonds3

About N-(3-acetylphenyl)-1H-benzimidazole-2-carboxamide

N-(3-acetylphenyl)-1H-benzimidazole-2-carboxamide (PubChem CID 110468819) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is N-(3-acetylphenyl)-1H-benzimidazole-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-1H-benzimidazole-2-carboxamide
PubChem CID110468819
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC NameN-(3-acetylphenyl)-1H-benzimidazole-2-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C16H13N3O2/c1-10(20)11-5-4-6-12(9-11)17-16(21)15-18-13-7-2-3-8-14(13)19-15/h2-9H,1H3,(H,17,21)(H,18,19)
InChIKeyLQAFFYIORDGZEX-UHFFFAOYSA-N
XLogP3.02
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-carbamoylphenyl)-1H-benzimidazole-2-carboxamide
CID 110468823
N-(3-pyridin-3-yloxyphenyl)-1H-benzimidazole-2-carboxamide
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3-acetamido-N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]benzamide
CID 44523579
N-(1H-benzimidazol-2-yl)-1H-benzimidazole-2-carboxamide
CID 12620222
N-(3-acetylphenyl)-3-methylquinoxaline-2-carboxamide
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N-(6-methyl-2-pyridinyl)-1H-benzimidazole-2-carboxamide
CID 14371315
1-(3-acetylphenyl)-2-(1H-benzimidazol-2-yl)-3-(3,5-difluorophenyl)-3-hydroxyprop-2-en-1-one
CID 152746057
N-(3-acetylphenyl)quinoline-3-carboxamide
CID 110694820
N-(3-acetylphenyl)-3-amino-1H-1,2,4-triazole-5-carboxamide
CID 62793864
N-hydroxy-1H-benzimidazole-2-carboxamide
CID 21114230
N-(1H-benzimidazol-2-yl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 30476399
N-(3-acetylphenyl)-1H-1,2,4-triazole-5-carboxamide
CID 741077

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-1H-benzimidazole-2-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-1H-benzimidazole-2-carboxamide (CID 110468819) is N-(3-acetylphenyl)-1H-benzimidazole-2-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-1H-benzimidazole-2-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-1H-benzimidazole-2-carboxamide is CC(=O)c1cccc(NC(=O)c2nc3ccccc3[nH]2)c1.
What is the InChIKey of N-(3-acetylphenyl)-1H-benzimidazole-2-carboxamide?
The InChIKey is LQAFFYIORDGZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-10(20)11-5-4-6-12(9-11)17-16(21)15-18-13-7-2-3-8-14(13)19-15/h2-9H,1H3,(H,17,21)(H,18,19).
What are the key properties of N-(3-acetylphenyl)-1H-benzimidazole-2-carboxamide?
N-(3-acetylphenyl)-1H-benzimidazole-2-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-1H-benzimidazole-2-carboxamide is sourced from PubChem (CID 110468819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).