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

C16H14N2O3 — CID 115541232

IUPAC1-(2,3-dimethylphenyl)-2-oxo-3H-benzimidazole-4-carboxylic acid
SMILESCc1cccc(-n2c(=O)[nH]c3c(C(=O)O)cccc32)c1C
InChIInChI=1S/C16H14N2O3/c1-9-5-3-7-12(10(9)2)18-13-8-4-6-11(15(19)20)14(13)17-16(18)21/h3-8H,1-2H3,(H,17,21)(H,19,20)
InChIKeyJYDPMNRLANAMEI-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.63
Rot. Bonds2

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

1-(2,3-dimethylphenyl)-2-oxo-3H-benzimidazole-4-carboxylic acid (PubChem CID 115541232) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-2-oxo-3H-benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-2-oxo-3H-benzimidazole-4-carboxylic acid
PubChem CID115541232
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name1-(2,3-dimethylphenyl)-2-oxo-3H-benzimidazole-4-carboxylic acid
SMILESCc1cccc(-n2c(=O)[nH]c3c(C(=O)O)cccc32)c1C
InChIInChI=1S/C16H14N2O3/c1-9-5-3-7-12(10(9)2)18-13-8-4-6-11(15(19)20)14(13)17-16(18)21/h3-8H,1-2H3,(H,17,21)(H,19,20)
InChIKeyJYDPMNRLANAMEI-UHFFFAOYSA-N
XLogP2.63
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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
2-methyl-3-(2-oxo-3H-benzimidazol-1-yl)benzoic acid
CID 82514443
1-(3-fluoro-4-methylphenyl)-2-oxo-3H-benzimidazole-4-carboxylic acid
CID 115541225
2-oxo-1-pentan-3-yl-3H-benzimidazole-4-carboxylic acid
CID 113331878
1-(2,3-dimethylphenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112598553
3-(2,3-dimethylphenyl)-1H-quinazoline-2,4-dione
CID 12845269
1-[2-(ethylamino)-2-oxoethyl]-2-oxo-3H-benzimidazole-4-carboxylic acid
CID 113331892
1-(4-hydroxycyclohexyl)-2-oxo-3H-benzimidazole-4-carboxylic acid
CID 104966720
2-oxo-1-(2,4,4-trimethylpentan-2-yl)-3H-benzimidazole-4-carboxylic acid
CID 115541404
1-hexan-3-yl-2-oxo-3H-benzimidazole-4-carboxylic acid
CID 115541446
1-(2,3-dimethylphenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112598557

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-2-oxo-3H-benzimidazole-4-carboxylic acid?
The IUPAC name of 1-(2,3-dimethylphenyl)-2-oxo-3H-benzimidazole-4-carboxylic acid (CID 115541232) is 1-(2,3-dimethylphenyl)-2-oxo-3H-benzimidazole-4-carboxylic acid.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-2-oxo-3H-benzimidazole-4-carboxylic acid?
The canonical SMILES for 1-(2,3-dimethylphenyl)-2-oxo-3H-benzimidazole-4-carboxylic acid is Cc1cccc(-n2c(=O)[nH]c3c(C(=O)O)cccc32)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-2-oxo-3H-benzimidazole-4-carboxylic acid?
The InChIKey is JYDPMNRLANAMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-9-5-3-7-12(10(9)2)18-13-8-4-6-11(15(19)20)14(13)17-16(18)21/h3-8H,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 1-(2,3-dimethylphenyl)-2-oxo-3H-benzimidazole-4-carboxylic acid?
1-(2,3-dimethylphenyl)-2-oxo-3H-benzimidazole-4-carboxylic acid has a molecular weight of 282.30 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-2-oxo-3H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 115541232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).