2-methyl-3-(2-oxo-3H-benzimidazol-1-yl)benzoic acid

C15H12N2O3 — CID 82514443

IUPAC2-methyl-3-(2-oxo-3H-benzimidazol-1-yl)benzoic acid
SMILESCc1c(C(=O)O)cccc1-n1c(=O)[nH]c2ccccc21
InChIInChI=1S/C15H12N2O3/c1-9-10(14(18)19)5-4-8-12(9)17-13-7-3-2-6-11(13)16-15(17)20/h2-8H,1H3,(H,16,20)(H,18,19)
InChIKeyAYCXPIXRJCPNDR-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.33
Rot. Bonds2

About 2-methyl-3-(2-oxo-3H-benzimidazol-1-yl)benzoic acid

2-methyl-3-(2-oxo-3H-benzimidazol-1-yl)benzoic acid (PubChem CID 82514443) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-methyl-3-(2-oxo-3H-benzimidazol-1-yl)benzoic acid.

Molecular Properties

Compound Name2-methyl-3-(2-oxo-3H-benzimidazol-1-yl)benzoic acid
PubChem CID82514443
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name2-methyl-3-(2-oxo-3H-benzimidazol-1-yl)benzoic acid
SMILESCc1c(C(=O)O)cccc1-n1c(=O)[nH]c2ccccc21
InChIInChI=1S/C15H12N2O3/c1-9-10(14(18)19)5-4-8-12(9)17-13-7-3-2-6-11(13)16-15(17)20/h2-8H,1H3,(H,16,20)(H,18,19)
InChIKeyAYCXPIXRJCPNDR-UHFFFAOYSA-N
XLogP2.33
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dimethylphenyl)-2-oxo-3H-benzimidazole-4-carboxylic acid
CID 115541232
3-(2-oxo-3H-benzimidazol-1-yl)benzoic acid
CID 82513951
3-(2,6-dimethyl-3-pyridinyl)-1H-benzimidazol-2-one
CID 150942006
3-(2,3-dimethylphenyl)-1H-quinazoline-2,4-dione
CID 12845269
3-(3,5-dioxothiomorpholin-4-yl)-2-methylbenzoic acid
CID 104570426
3-(3-methylphenyl)-2-oxo-1H-benzimidazole-4-carboxylic acid
CID 115931444
1-(4-bromo-2-methylphenyl)-2-oxo-3H-benzimidazole-4-carboxylic acid
CID 115541287
1-(5-bromo-2-methylphenyl)-2-oxo-3H-benzimidazole-4-carboxylic acid
CID 115541336
1,5-dioxo-6H-pyrazolo[1,2-a][1,2,4]benzotriazine-2-carboxylic acid
CID 23467554
3-indazol-1-yl-2-methylbenzoic acid
CID 19744370
3-(benzimidazol-1-yl)-2-methylbenzoic acid
CID 70364781
2-(2-oxo-3H-benzimidazol-1-yl)-3H-benzimidazole-5-carboxylic acid
CID 70143818

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-oxo-3H-benzimidazol-1-yl)benzoic acid?
The IUPAC name of 2-methyl-3-(2-oxo-3H-benzimidazol-1-yl)benzoic acid (CID 82514443) is 2-methyl-3-(2-oxo-3H-benzimidazol-1-yl)benzoic acid.
What is the SMILES notation for 2-methyl-3-(2-oxo-3H-benzimidazol-1-yl)benzoic acid?
The canonical SMILES for 2-methyl-3-(2-oxo-3H-benzimidazol-1-yl)benzoic acid is Cc1c(C(=O)O)cccc1-n1c(=O)[nH]c2ccccc21.
What is the InChIKey of 2-methyl-3-(2-oxo-3H-benzimidazol-1-yl)benzoic acid?
The InChIKey is AYCXPIXRJCPNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c1-9-10(14(18)19)5-4-8-12(9)17-13-7-3-2-6-11(13)16-15(17)20/h2-8H,1H3,(H,16,20)(H,18,19).
What are the key properties of 2-methyl-3-(2-oxo-3H-benzimidazol-1-yl)benzoic acid?
2-methyl-3-(2-oxo-3H-benzimidazol-1-yl)benzoic acid has a molecular weight of 268.27 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-oxo-3H-benzimidazol-1-yl)benzoic acid is sourced from PubChem (CID 82514443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).