N-(3-acetamidophenyl)-3H-benzimidazole-5-carboxamide

C16H14N4O2 — CID 27259059

IUPACN-(3-acetamidophenyl)-3H-benzimidazole-5-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2ccc3nc[nH]c3c2)c1
InChIInChI=1S/C16H14N4O2/c1-10(21)19-12-3-2-4-13(8-12)20-16(22)11-5-6-14-15(7-11)18-9-17-14/h2-9H,1H3,(H,17,18)(H,19,21)(H,20,22)
InChIKeyBWPLNZPODULHIV-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.77
Rot. Bonds3

About N-(3-acetamidophenyl)-3H-benzimidazole-5-carboxamide

N-(3-acetamidophenyl)-3H-benzimidazole-5-carboxamide (PubChem CID 27259059) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-3H-benzimidazole-5-carboxamide
PubChem CID27259059
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC NameN-(3-acetamidophenyl)-3H-benzimidazole-5-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2ccc3nc[nH]c3c2)c1
InChIInChI=1S/C16H14N4O2/c1-10(21)19-12-3-2-4-13(8-12)20-16(22)11-5-6-14-15(7-11)18-9-17-14/h2-9H,1H3,(H,17,18)(H,19,21)(H,20,22)
InChIKeyBWPLNZPODULHIV-UHFFFAOYSA-N
XLogP2.77
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-carbamoylphenyl)-3H-benzimidazole-5-carboxamide
CID 60630265
N-(3-chlorophenyl)-3H-benzimidazole-5-carboxamide
CID 18847548
N-[4-[4-(3H-benzimidazole-5-carbonylamino)anilino]phenyl]-3H-benzimidazole-5-carboxamide
CID 67686736
N-quinoxalin-6-yl-3H-benzimidazole-5-carboxamide
CID 110743788
N-(4-hydroxyphenyl)-3H-benzimidazole-5-carboxamide
CID 28739583
N-[3-(2-methylbut-3-yn-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide
CID 166206630
N-(3H-benzimidazol-5-yl)-4-(methylamino)benzamide
CID 115161081
tert-butyl N-[2-[3-(3H-benzimidazole-5-carbonylamino)anilino]-2-oxoethyl]carbamate
CID 108917164
N-(3-chloro-4-hydroxyphenyl)-3H-benzimidazole-5-carboxamide
CID 64788874
N-(2-acetamidoethyl)-3H-benzimidazole-5-carboxamide
CID 43397895
N-(6-chloro-3-pyridinyl)-3H-benzimidazole-5-carboxamide
CID 78961453
N-(2,3-dichlorophenyl)-3H-benzimidazole-5-carboxamide
CID 18847542

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-3H-benzimidazole-5-carboxamide (CID 27259059) is N-(3-acetamidophenyl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-3H-benzimidazole-5-carboxamide is CC(=O)Nc1cccc(NC(=O)c2ccc3nc[nH]c3c2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-3H-benzimidazole-5-carboxamide?
The InChIKey is BWPLNZPODULHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-10(21)19-12-3-2-4-13(8-12)20-16(22)11-5-6-14-15(7-11)18-9-17-14/h2-9H,1H3,(H,17,18)(H,19,21)(H,20,22).
What are the key properties of N-(3-acetamidophenyl)-3H-benzimidazole-5-carboxamide?
N-(3-acetamidophenyl)-3H-benzimidazole-5-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 2.77, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 27259059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).