2-(benzimidazol-1-ylcarbamoyl)benzoic acid

C15H11N3O3 — CID 134107318

IUPAC2-(benzimidazol-1-ylcarbamoyl)benzoic acid
SMILESO=C(O)c1ccccc1C(=O)Nn1cnc2ccccc21
InChIInChI=1S/C15H11N3O3/c19-14(10-5-1-2-6-11(10)15(20)21)17-18-9-16-12-7-3-4-8-13(12)18/h1-9H,(H,17,19)(H,20,21)
InChIKeyDCBDVSGZVDWUGB-UHFFFAOYSA-N
MW281.27 g/mol
LogP2.12
Rot. Bonds3

About 2-(benzimidazol-1-ylcarbamoyl)benzoic acid

2-(benzimidazol-1-ylcarbamoyl)benzoic acid (PubChem CID 134107318) has the molecular formula C15H11N3O3 and a molecular weight of 281.27 g/mol. Its IUPAC name is 2-(benzimidazol-1-ylcarbamoyl)benzoic acid.

Molecular Properties

Compound Name2-(benzimidazol-1-ylcarbamoyl)benzoic acid
PubChem CID134107318
Molecular FormulaC15H11N3O3
Molecular Weight281.27 g/mol
Exact Mass281.08
IUPAC Name2-(benzimidazol-1-ylcarbamoyl)benzoic acid
SMILESO=C(O)c1ccccc1C(=O)Nn1cnc2ccccc21
InChIInChI=1S/C15H11N3O3/c19-14(10-5-1-2-6-11(10)15(20)21)17-18-9-16-12-7-3-4-8-13(12)18/h1-9H,(H,17,19)(H,20,21)
InChIKeyDCBDVSGZVDWUGB-UHFFFAOYSA-N
XLogP2.12
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 24535711
N-(benzimidazol-1-yl)-2-benzylbenzamide
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benzimidazol-1-ylcarbamic acid
CID 21218422
N-(benzimidazol-1-yl)-2-methylsulfonylbenzamide
CID 34338436
N-(benzimidazol-1-yl)-2-(thiophene-2-carbonyl)benzamide
CID 34336133
N-(benzimidazol-1-yl)-5-phenyl-1H-pyrazole-4-carboxamide
CID 17469611
N-(benzimidazol-1-yl)-2,4-dichlorobenzamide
CID 17464518
N-(benzimidazol-1-yl)acetamide
CID 2318657
N-(benzimidazol-1-yl)-2-oxo-1H-quinoline-4-carboxamide
CID 17477575
N-(benzimidazol-1-yl)-5-chlorothiophene-2-carboxamide
CID 34328272
N-(benzimidazol-1-yl)-3-oxobutanamide
CID 87961400
N-(benzimidazol-1-yl)-2,4-dichloro-5-sulfamoylbenzamide
CID 138377179

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-ylcarbamoyl)benzoic acid?
The IUPAC name of 2-(benzimidazol-1-ylcarbamoyl)benzoic acid (CID 134107318) is 2-(benzimidazol-1-ylcarbamoyl)benzoic acid.
What is the SMILES notation for 2-(benzimidazol-1-ylcarbamoyl)benzoic acid?
The canonical SMILES for 2-(benzimidazol-1-ylcarbamoyl)benzoic acid is O=C(O)c1ccccc1C(=O)Nn1cnc2ccccc21.
What is the InChIKey of 2-(benzimidazol-1-ylcarbamoyl)benzoic acid?
The InChIKey is DCBDVSGZVDWUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O3/c19-14(10-5-1-2-6-11(10)15(20)21)17-18-9-16-12-7-3-4-8-13(12)18/h1-9H,(H,17,19)(H,20,21).
What are the key properties of 2-(benzimidazol-1-ylcarbamoyl)benzoic acid?
2-(benzimidazol-1-ylcarbamoyl)benzoic acid has a molecular weight of 281.27 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-ylcarbamoyl)benzoic acid is sourced from PubChem (CID 134107318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).