4-(3H-benzimidazole-5-carbonylamino)-3-methylbenzoic acid

C16H13N3O3 — CID 24702726

IUPAC4-(3H-benzimidazole-5-carbonylamino)-3-methylbenzoic acid
SMILESCc1cc(C(=O)O)ccc1NC(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C16H13N3O3/c1-9-6-11(16(21)22)3-4-12(9)19-15(20)10-2-5-13-14(7-10)18-8-17-13/h2-8H,1H3,(H,17,18)(H,19,20)(H,21,22)
InChIKeyGTIXWFFMDXNHAH-UHFFFAOYSA-N
MW295.30 g/mol
LogP2.82
Rot. Bonds3

About 4-(3H-benzimidazole-5-carbonylamino)-3-methylbenzoic acid

4-(3H-benzimidazole-5-carbonylamino)-3-methylbenzoic acid (PubChem CID 24702726) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is 4-(3H-benzimidazole-5-carbonylamino)-3-methylbenzoic acid.

Molecular Properties

Compound Name4-(3H-benzimidazole-5-carbonylamino)-3-methylbenzoic acid
PubChem CID24702726
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Name4-(3H-benzimidazole-5-carbonylamino)-3-methylbenzoic acid
SMILESCc1cc(C(=O)O)ccc1NC(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C16H13N3O3/c1-9-6-11(16(21)22)3-4-12(9)19-15(20)10-2-5-13-14(7-10)18-8-17-13/h2-8H,1H3,(H,17,18)(H,19,20)(H,21,22)
InChIKeyGTIXWFFMDXNHAH-UHFFFAOYSA-N
XLogP2.82
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-fluoro-2-methylphenyl)-3H-benzimidazole-5-carboxamide
CID 43397751
3-methyl-4-[(2-oxo-1H-pyridine-4-carbonyl)amino]benzoic acid
CID 106703618
N-(2,4-dimethoxy-3-methylphenyl)-3H-benzimidazole-5-carboxamide
CID 110792971
N-(4-bromo-2,3-dichlorophenyl)-3H-benzimidazole-5-carboxamide
CID 107792772
3-methyl-4-[(4-methylbenzoyl)amino]benzoic acid
CID 16777399
N-(5-methyl-1,3,4-thiadiazol-2-yl)-3H-benzimidazole-5-carboxamide
CID 17421337
N-(2,3-dichlorophenyl)-3H-benzimidazole-5-carboxamide
CID 18847542
N-(2,5-dibromophenyl)-3H-benzimidazole-5-carboxamide
CID 61261029
N-[4-[4-(3H-benzimidazole-5-carbonylamino)anilino]phenyl]-3H-benzimidazole-5-carboxamide
CID 67686736
N-[2-(methylaminomethyl)phenyl]-3H-benzimidazole-5-carboxamide
CID 43600970
N-(3-acetamidophenyl)-3H-benzimidazole-5-carboxamide
CID 27259059
N-(4-hydroxyphenyl)-3H-benzimidazole-5-carboxamide
CID 28739583

Frequently Asked Questions

What is the IUPAC name of 4-(3H-benzimidazole-5-carbonylamino)-3-methylbenzoic acid?
The IUPAC name of 4-(3H-benzimidazole-5-carbonylamino)-3-methylbenzoic acid (CID 24702726) is 4-(3H-benzimidazole-5-carbonylamino)-3-methylbenzoic acid.
What is the SMILES notation for 4-(3H-benzimidazole-5-carbonylamino)-3-methylbenzoic acid?
The canonical SMILES for 4-(3H-benzimidazole-5-carbonylamino)-3-methylbenzoic acid is Cc1cc(C(=O)O)ccc1NC(=O)c1ccc2nc[nH]c2c1.
What is the InChIKey of 4-(3H-benzimidazole-5-carbonylamino)-3-methylbenzoic acid?
The InChIKey is GTIXWFFMDXNHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c1-9-6-11(16(21)22)3-4-12(9)19-15(20)10-2-5-13-14(7-10)18-8-17-13/h2-8H,1H3,(H,17,18)(H,19,20)(H,21,22).
What are the key properties of 4-(3H-benzimidazole-5-carbonylamino)-3-methylbenzoic acid?
4-(3H-benzimidazole-5-carbonylamino)-3-methylbenzoic acid has a molecular weight of 295.30 g/mol, XLogP of 2.82, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3H-benzimidazole-5-carbonylamino)-3-methylbenzoic acid is sourced from PubChem (CID 24702726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).