3-(3-methylphenyl)-2-oxo-1H-benzimidazole-4-carboxylic acid

C15H12N2O3 — CID 115931444

IUPAC3-(3-methylphenyl)-2-oxo-1H-benzimidazole-4-carboxylic acid
SMILESCc1cccc(-n2c(=O)[nH]c3cccc(C(=O)O)c32)c1
InChIInChI=1S/C15H12N2O3/c1-9-4-2-5-10(8-9)17-13-11(14(18)19)6-3-7-12(13)16-15(17)20/h2-8H,1H3,(H,16,20)(H,18,19)
InChIKeyBYZSBTHWCQKELA-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.33
Rot. Bonds2

About 3-(3-methylphenyl)-2-oxo-1H-benzimidazole-4-carboxylic acid

3-(3-methylphenyl)-2-oxo-1H-benzimidazole-4-carboxylic acid (PubChem CID 115931444) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 3-(3-methylphenyl)-2-oxo-1H-benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(3-methylphenyl)-2-oxo-1H-benzimidazole-4-carboxylic acid
PubChem CID115931444
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name3-(3-methylphenyl)-2-oxo-1H-benzimidazole-4-carboxylic acid
SMILESCc1cccc(-n2c(=O)[nH]c3cccc(C(=O)O)c32)c1
InChIInChI=1S/C15H12N2O3/c1-9-4-2-5-10(8-9)17-13-11(14(18)19)6-3-7-12(13)16-15(17)20/h2-8H,1H3,(H,16,20)(H,18,19)
InChIKeyBYZSBTHWCQKELA-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

3-(3-chloro-5-fluorophenyl)-2-oxo-1H-benzimidazole-4-carboxylic acid
CID 107366909
3-(3-hydroxyphenyl)-4-methyl-1H-benzimidazol-2-one
CID 117209156
2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxylic acid
CID 2339295
3-(3-methylphenyl)-2-oxo-1H-imidazole-4-carboxylic acid
CID 82472009
5-fluoro-3-(3-methylphenyl)-1H-quinazoline-2,4-dione
CID 4093447
5-amino-3-(3-methylphenyl)-1H-benzimidazol-2-one
CID 110491624
3-(2-methylpropyl)-2-oxo-1H-benzimidazole-4-carboxylic acid
CID 112576480
2-methyl-3-(2-oxo-3H-benzimidazol-1-yl)benzoic acid
CID 82514443
3-(2-oxo-3H-benzimidazol-1-yl)benzoic acid
CID 82513951
3-(3-methylpentan-3-yl)-2-oxo-1H-benzimidazole-4-carboxylic acid
CID 106329261
3-(3-methylcyclobutyl)-2-oxo-1H-benzimidazole-4-carboxylic acid
CID 113467250
3-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-oxo-1H-benzimidazole-4-carboxylic acid
CID 115931656

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-2-oxo-1H-benzimidazole-4-carboxylic acid?
The IUPAC name of 3-(3-methylphenyl)-2-oxo-1H-benzimidazole-4-carboxylic acid (CID 115931444) is 3-(3-methylphenyl)-2-oxo-1H-benzimidazole-4-carboxylic acid.
What is the SMILES notation for 3-(3-methylphenyl)-2-oxo-1H-benzimidazole-4-carboxylic acid?
The canonical SMILES for 3-(3-methylphenyl)-2-oxo-1H-benzimidazole-4-carboxylic acid is Cc1cccc(-n2c(=O)[nH]c3cccc(C(=O)O)c32)c1.
What is the InChIKey of 3-(3-methylphenyl)-2-oxo-1H-benzimidazole-4-carboxylic acid?
The InChIKey is BYZSBTHWCQKELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c1-9-4-2-5-10(8-9)17-13-11(14(18)19)6-3-7-12(13)16-15(17)20/h2-8H,1H3,(H,16,20)(H,18,19).
What are the key properties of 3-(3-methylphenyl)-2-oxo-1H-benzimidazole-4-carboxylic acid?
3-(3-methylphenyl)-2-oxo-1H-benzimidazole-4-carboxylic 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 3-(3-methylphenyl)-2-oxo-1H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 115931444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).