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

C14H9ClN2O3 — CID 82783701

IUPAC3-(4-chlorophenyl)-2-oxo-1H-benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2[nH]c(=O)n(-c3ccc(Cl)cc3)c2c1
InChIInChI=1S/C14H9ClN2O3/c15-9-2-4-10(5-3-9)17-12-7-8(13(18)19)1-6-11(12)16-14(17)20/h1-7H,(H,16,20)(H,18,19)
InChIKeyCANCOIYSSWGMGT-UHFFFAOYSA-N
MW288.69 g/mol
LogP2.67
Rot. Bonds2

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

3-(4-chlorophenyl)-2-oxo-1H-benzimidazole-5-carboxylic acid (PubChem CID 82783701) has the molecular formula C14H9ClN2O3 and a molecular weight of 288.69 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-oxo-1H-benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-oxo-1H-benzimidazole-5-carboxylic acid
PubChem CID82783701
Molecular FormulaC14H9ClN2O3
Molecular Weight288.69 g/mol
Exact Mass288.03
IUPAC Name3-(4-chlorophenyl)-2-oxo-1H-benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2[nH]c(=O)n(-c3ccc(Cl)cc3)c2c1
InChIInChI=1S/C14H9ClN2O3/c15-9-2-4-10(5-3-9)17-12-7-8(13(18)19)1-6-11(12)16-14(17)20/h1-7H,(H,16,20)(H,18,19)
InChIKeyCANCOIYSSWGMGT-UHFFFAOYSA-N
XLogP2.67
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.69
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-oxo-1H-benzimidazole-5-carboxylic acid?
The IUPAC name of 3-(4-chlorophenyl)-2-oxo-1H-benzimidazole-5-carboxylic acid (CID 82783701) is 3-(4-chlorophenyl)-2-oxo-1H-benzimidazole-5-carboxylic acid.
What is the SMILES notation for 3-(4-chlorophenyl)-2-oxo-1H-benzimidazole-5-carboxylic acid?
The canonical SMILES for 3-(4-chlorophenyl)-2-oxo-1H-benzimidazole-5-carboxylic acid is O=C(O)c1ccc2[nH]c(=O)n(-c3ccc(Cl)cc3)c2c1.
What is the InChIKey of 3-(4-chlorophenyl)-2-oxo-1H-benzimidazole-5-carboxylic acid?
The InChIKey is CANCOIYSSWGMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O3/c15-9-2-4-10(5-3-9)17-12-7-8(13(18)19)1-6-11(12)16-14(17)20/h1-7H,(H,16,20)(H,18,19).
What are the key properties of 3-(4-chlorophenyl)-2-oxo-1H-benzimidazole-5-carboxylic acid?
3-(4-chlorophenyl)-2-oxo-1H-benzimidazole-5-carboxylic acid has a molecular weight of 288.69 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-oxo-1H-benzimidazole-5-carboxylic acid is sourced from PubChem (CID 82783701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).