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

C15H11ClN2O3 — CID 82770175

IUPAC3-(5-chloro-2-methylphenyl)-2-oxo-1H-benzimidazole-5-carboxylic acid
SMILESCc1ccc(Cl)cc1-n1c(=O)[nH]c2ccc(C(=O)O)cc21
InChIInChI=1S/C15H11ClN2O3/c1-8-2-4-10(16)7-12(8)18-13-6-9(14(19)20)3-5-11(13)17-15(18)21/h2-7H,1H3,(H,17,21)(H,19,20)
InChIKeyMSGNTXAOHDELCB-UHFFFAOYSA-N
MW302.72 g/mol
LogP2.98
Rot. Bonds2

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

3-(5-chloro-2-methylphenyl)-2-oxo-1H-benzimidazole-5-carboxylic acid (PubChem CID 82770175) has the molecular formula C15H11ClN2O3 and a molecular weight of 302.72 g/mol. Its IUPAC name is 3-(5-chloro-2-methylphenyl)-2-oxo-1H-benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(5-chloro-2-methylphenyl)-2-oxo-1H-benzimidazole-5-carboxylic acid
PubChem CID82770175
Molecular FormulaC15H11ClN2O3
Molecular Weight302.72 g/mol
Exact Mass302.05
IUPAC Name3-(5-chloro-2-methylphenyl)-2-oxo-1H-benzimidazole-5-carboxylic acid
SMILESCc1ccc(Cl)cc1-n1c(=O)[nH]c2ccc(C(=O)O)cc21
InChIInChI=1S/C15H11ClN2O3/c1-8-2-4-10(16)7-12(8)18-13-6-9(14(19)20)3-5-11(13)17-15(18)21/h2-7H,1H3,(H,17,21)(H,19,20)
InChIKeyMSGNTXAOHDELCB-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

Analyze 3-(5-chloro-2-methylphenyl)-2-oxo-1H-benzimidazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-bromo-5-chlorophenyl)-2-oxo-1H-benzimidazole-5-carboxylic acid
CID 82770012
3-(4-chlorophenyl)-2-oxo-1H-benzimidazole-5-carboxylic acid
CID 82783701
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
3-(2-ethylphenyl)-2-oxo-1H-benzimidazole-5-carboxylic acid
CID 82770328
3-(2-bromo-3-chlorophenyl)-2-oxo-1H-benzimidazole-5-carboxylic acid
CID 103480365
1-(2-chloro-4-methylphenyl)-2-oxo-3H-benzimidazole-5-carboxylic acid
CID 29077056
1-(2,3-dichlorophenyl)-2-oxo-3H-benzimidazole-5-carboxylic acid
CID 29077044
3-(dimethylamino)-2-oxo-1H-benzimidazole-5-carboxylic acid
CID 83015711
1-(2-chloro-4-iodophenyl)-2-oxo-3H-benzimidazole-5-carboxylic acid
CID 107607007
3-(3-chlorophenyl)-2,4-dioxo-1H-quinazoline-7-carboxylic acid
CID 16774187
3-[(3S)-1-(2,4-dichlorobenzoyl)pyrrolidin-3-yl]-2-oxo-1H-benzimidazole-5-carboxylic acid
CID 163399290

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methylphenyl)-2-oxo-1H-benzimidazole-5-carboxylic acid?
The IUPAC name of 3-(5-chloro-2-methylphenyl)-2-oxo-1H-benzimidazole-5-carboxylic acid (CID 82770175) is 3-(5-chloro-2-methylphenyl)-2-oxo-1H-benzimidazole-5-carboxylic acid.
What is the SMILES notation for 3-(5-chloro-2-methylphenyl)-2-oxo-1H-benzimidazole-5-carboxylic acid?
The canonical SMILES for 3-(5-chloro-2-methylphenyl)-2-oxo-1H-benzimidazole-5-carboxylic acid is Cc1ccc(Cl)cc1-n1c(=O)[nH]c2ccc(C(=O)O)cc21.
What is the InChIKey of 3-(5-chloro-2-methylphenyl)-2-oxo-1H-benzimidazole-5-carboxylic acid?
The InChIKey is MSGNTXAOHDELCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O3/c1-8-2-4-10(16)7-12(8)18-13-6-9(14(19)20)3-5-11(13)17-15(18)21/h2-7H,1H3,(H,17,21)(H,19,20).
What are the key properties of 3-(5-chloro-2-methylphenyl)-2-oxo-1H-benzimidazole-5-carboxylic acid?
3-(5-chloro-2-methylphenyl)-2-oxo-1H-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 3-(5-chloro-2-methylphenyl)-2-oxo-1H-benzimidazole-5-carboxylic acid is sourced from PubChem (CID 82770175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).