1-(2-chloro-4-methylphenyl)-2-oxo-3H-benzimidazole-5-carboxylic acid

C15H11ClN2O3 — CID 29077056

IUPAC1-(2-chloro-4-methylphenyl)-2-oxo-3H-benzimidazole-5-carboxylic acid
SMILESCc1ccc(-n2c(=O)[nH]c3cc(C(=O)O)ccc32)c(Cl)c1
InChIInChI=1S/C15H11ClN2O3/c1-8-2-4-12(10(16)6-8)18-13-5-3-9(14(19)20)7-11(13)17-15(18)21/h2-7H,1H3,(H,17,21)(H,19,20)
InChIKeyZSXCUZHRVIQAJX-UHFFFAOYSA-N
MW302.72 g/mol
LogP2.98
Rot. Bonds2

About 1-(2-chloro-4-methylphenyl)-2-oxo-3H-benzimidazole-5-carboxylic acid

1-(2-chloro-4-methylphenyl)-2-oxo-3H-benzimidazole-5-carboxylic acid (PubChem CID 29077056) has the molecular formula C15H11ClN2O3 and a molecular weight of 302.72 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-2-oxo-3H-benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-2-oxo-3H-benzimidazole-5-carboxylic acid
PubChem CID29077056
Molecular FormulaC15H11ClN2O3
Molecular Weight302.72 g/mol
Exact Mass302.05
IUPAC Name1-(2-chloro-4-methylphenyl)-2-oxo-3H-benzimidazole-5-carboxylic acid
SMILESCc1ccc(-n2c(=O)[nH]c3cc(C(=O)O)ccc32)c(Cl)c1
InChIInChI=1S/C15H11ClN2O3/c1-8-2-4-12(10(16)6-8)18-13-5-3-9(14(19)20)7-11(13)17-15(18)21/h2-7H,1H3,(H,17,21)(H,19,20)
InChIKeyZSXCUZHRVIQAJX-UHFFFAOYSA-N
XLogP2.98
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.72
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-4-iodophenyl)-2-oxo-3H-benzimidazole-5-carboxylic acid
CID 107607007
1-(2,3-dichlorophenyl)-2-oxo-3H-benzimidazole-5-carboxylic acid
CID 29077044
3-(2-fluoro-5-methylphenyl)-2-oxo-1H-benzimidazole-5-carboxylic acid
CID 82769492
3-(2,3-dichlorophenyl)-2-oxo-1H-benzimidazole-5-carboxylic acid
CID 82770469
2-oxo-1-pyrimidin-2-yl-3H-benzimidazole-5-carboxylic acid
CID 110491349
3-(2-bromo-3-chlorophenyl)-2-oxo-1H-benzimidazole-5-carboxylic acid
CID 103480365
3-(5-chloro-2-methylphenyl)-2-oxo-1H-benzimidazole-5-carboxylic acid
CID 82770175
3-(2-bromophenyl)-6-methyl-1H-benzimidazol-2-one
CID 117207608
3-(2-ethylphenyl)-2-oxo-1H-benzimidazole-5-carboxylic acid
CID 82770328
3-(3,5-dimethylphenyl)-2,4-dioxo-1H-quinazoline-7-carboxylic acid
CID 71296246
2-oxo-1-pyridin-3-yl-3H-benzimidazole-5-carboxylic acid
CID 110491359
2-[2-(5-chloro-2-oxo-3H-benzimidazol-1-yl)phenyl]acetic acid
CID 66755223

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-2-oxo-3H-benzimidazole-5-carboxylic acid?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-2-oxo-3H-benzimidazole-5-carboxylic acid (CID 29077056) is 1-(2-chloro-4-methylphenyl)-2-oxo-3H-benzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-2-oxo-3H-benzimidazole-5-carboxylic acid?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-2-oxo-3H-benzimidazole-5-carboxylic acid is Cc1ccc(-n2c(=O)[nH]c3cc(C(=O)O)ccc32)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-2-oxo-3H-benzimidazole-5-carboxylic acid?
The InChIKey is ZSXCUZHRVIQAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O3/c1-8-2-4-12(10(16)6-8)18-13-5-3-9(14(19)20)7-11(13)17-15(18)21/h2-7H,1H3,(H,17,21)(H,19,20).
What are the key properties of 1-(2-chloro-4-methylphenyl)-2-oxo-3H-benzimidazole-5-carboxylic acid?
1-(2-chloro-4-methylphenyl)-2-oxo-3H-benzimidazole-5-carboxylic acid has a molecular weight of 302.72 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)-2-oxo-3H-benzimidazole-5-carboxylic acid is sourced from PubChem (CID 29077056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).