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

C15H12N4O2 — CID 60630265

IUPACN-(3-carbamoylphenyl)-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1cccc(NC(=O)c2ccc3nc[nH]c3c2)c1
InChIInChI=1S/C15H12N4O2/c16-14(20)9-2-1-3-11(6-9)19-15(21)10-4-5-12-13(7-10)18-8-17-12/h1-8H,(H2,16,20)(H,17,18)(H,19,21)
InChIKeyNIAWDJSRIOYZDO-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.91
Rot. Bonds3

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

N-(3-carbamoylphenyl)-3H-benzimidazole-5-carboxamide (PubChem CID 60630265) has the molecular formula C15H12N4O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is N-(3-carbamoylphenyl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoylphenyl)-3H-benzimidazole-5-carboxamide
PubChem CID60630265
Molecular FormulaC15H12N4O2
Molecular Weight280.29 g/mol
Exact Mass280.10
IUPAC NameN-(3-carbamoylphenyl)-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1cccc(NC(=O)c2ccc3nc[nH]c3c2)c1
InChIInChI=1S/C15H12N4O2/c16-14(20)9-2-1-3-11(6-9)19-15(21)10-4-5-12-13(7-10)18-8-17-12/h1-8H,(H2,16,20)(H,17,18)(H,19,21)
InChIKeyNIAWDJSRIOYZDO-UHFFFAOYSA-N
XLogP1.91
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetamidophenyl)-3H-benzimidazole-5-carboxamide
CID 27259059
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-[(4-aminocyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;dihydrochloride
CID 119475237
N-[3-(2-methylbut-3-yn-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide
CID 166206630
N-[3-[[1-(aminomethyl)cyclopentyl]carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;dihydrochloride
CID 119565508
N-(3-chloro-4-hydroxyphenyl)-3H-benzimidazole-5-carboxamide
CID 64788874
N-(3H-benzimidazol-5-yl)-4-(methylamino)benzamide
CID 115161081
N-(6-chloro-3-pyridinyl)-3H-benzimidazole-5-carboxamide
CID 78961453
N-[3-(pyrrolidin-2-ylmethylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;dihydrochloride
CID 119510692

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoylphenyl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(3-carbamoylphenyl)-3H-benzimidazole-5-carboxamide (CID 60630265) is N-(3-carbamoylphenyl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(3-carbamoylphenyl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(3-carbamoylphenyl)-3H-benzimidazole-5-carboxamide is NC(=O)c1cccc(NC(=O)c2ccc3nc[nH]c3c2)c1.
What is the InChIKey of N-(3-carbamoylphenyl)-3H-benzimidazole-5-carboxamide?
The InChIKey is NIAWDJSRIOYZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2/c16-14(20)9-2-1-3-11(6-9)19-15(21)10-4-5-12-13(7-10)18-8-17-12/h1-8H,(H2,16,20)(H,17,18)(H,19,21).
What are the key properties of N-(3-carbamoylphenyl)-3H-benzimidazole-5-carboxamide?
N-(3-carbamoylphenyl)-3H-benzimidazole-5-carboxamide has a molecular weight of 280.29 g/mol, XLogP of 1.91, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoylphenyl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 60630265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).