2-chloro-1-cyclopropylbenzimidazole-4-carboxylic acid

C11H9ClN2O2 — CID 83842366

IUPAC2-chloro-1-cyclopropylbenzimidazole-4-carboxylic acid
SMILESO=C(O)c1cccc2c1nc(Cl)n2C1CC1
InChIInChI=1S/C11H9ClN2O2/c12-11-13-9-7(10(15)16)2-1-3-8(9)14(11)6-4-5-6/h1-3,6H,4-5H2,(H,15,16)
InChIKeyIFKYNCKCTICOGD-UHFFFAOYSA-N
MW236.66 g/mol
LogP2.72
Rot. Bonds2

About 2-chloro-1-cyclopropylbenzimidazole-4-carboxylic acid

2-chloro-1-cyclopropylbenzimidazole-4-carboxylic acid (PubChem CID 83842366) has the molecular formula C11H9ClN2O2 and a molecular weight of 236.66 g/mol. Its IUPAC name is 2-chloro-1-cyclopropylbenzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-1-cyclopropylbenzimidazole-4-carboxylic acid
PubChem CID83842366
Molecular FormulaC11H9ClN2O2
Molecular Weight236.66 g/mol
Exact Mass236.04
IUPAC Name2-chloro-1-cyclopropylbenzimidazole-4-carboxylic acid
SMILESO=C(O)c1cccc2c1nc(Cl)n2C1CC1
InChIInChI=1S/C11H9ClN2O2/c12-11-13-9-7(10(15)16)2-1-3-8(9)14(11)6-4-5-6/h1-3,6H,4-5H2,(H,15,16)
InChIKeyIFKYNCKCTICOGD-UHFFFAOYSA-N
XLogP2.72
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-chloro-1-cyclopropylbenzimidazole-4-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

1-(4-hydroxycyclohexyl)-2-methylbenzimidazole-4-carboxylic acid
CID 104966804
1-cyclobutyl-2-cyclopropylbenzimidazole-4-carboxylic acid
CID 115543497
2,4-dichloro-1-cyclobutylbenzimidazole
CID 84800761
2-chloro-3-cyclopropylbenzimidazole-5-carboxylic acid
CID 83842367
2-chloro-1-cyclopropylbenzimidazole-5-carboxylic acid
CID 83842368
2-cyclopropyl-1-(1-methylpyrrolidin-3-yl)benzimidazole-4-carboxylic acid
CID 115543220
2-cyclopropyl-1-(1-methylcyclopropyl)benzimidazole-4-carboxylic acid
CID 113485836
2-tert-butyl-1-(oxolan-3-yl)benzimidazole-4-carboxylic acid
CID 115543941
2-methyl-1-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazole-4-carboxylic acid
CID 106253144
2-cyclopropyl-1-(dimethylamino)benzimidazole-4-carboxylic acid
CID 83019782
2-(4-carboxy-1-methylbenzimidazol-2-yl)-1-methylbenzimidazole-4-carboxylic acid;platinum
CID 91868096
1-tert-butyl-2-cyclopropylbenzimidazole-4-carboxylic acid
CID 115542790

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-cyclopropylbenzimidazole-4-carboxylic acid?
The IUPAC name of 2-chloro-1-cyclopropylbenzimidazole-4-carboxylic acid (CID 83842366) is 2-chloro-1-cyclopropylbenzimidazole-4-carboxylic acid.
What is the SMILES notation for 2-chloro-1-cyclopropylbenzimidazole-4-carboxylic acid?
The canonical SMILES for 2-chloro-1-cyclopropylbenzimidazole-4-carboxylic acid is O=C(O)c1cccc2c1nc(Cl)n2C1CC1.
What is the InChIKey of 2-chloro-1-cyclopropylbenzimidazole-4-carboxylic acid?
The InChIKey is IFKYNCKCTICOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2/c12-11-13-9-7(10(15)16)2-1-3-8(9)14(11)6-4-5-6/h1-3,6H,4-5H2,(H,15,16).
What are the key properties of 2-chloro-1-cyclopropylbenzimidazole-4-carboxylic acid?
2-chloro-1-cyclopropylbenzimidazole-4-carboxylic acid has a molecular weight of 236.66 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-cyclopropylbenzimidazole-4-carboxylic acid is sourced from PubChem (CID 83842366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).