2-chloro-3-cyclopropylbenzimidazole-5-carboxylic acid

C11H9ClN2O2 — CID 83842367

IUPAC2-chloro-3-cyclopropylbenzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2nc(Cl)n(C3CC3)c2c1
InChIInChI=1S/C11H9ClN2O2/c12-11-13-8-4-1-6(10(15)16)5-9(8)14(11)7-2-3-7/h1,4-5,7H,2-3H2,(H,15,16)
InChIKeyVQYFXZYKGRQTGY-UHFFFAOYSA-N
MW236.66 g/mol
LogP2.72
Rot. Bonds2

About 2-chloro-3-cyclopropylbenzimidazole-5-carboxylic acid

2-chloro-3-cyclopropylbenzimidazole-5-carboxylic acid (PubChem CID 83842367) has the molecular formula C11H9ClN2O2 and a molecular weight of 236.66 g/mol. Its IUPAC name is 2-chloro-3-cyclopropylbenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-chloro-3-cyclopropylbenzimidazole-5-carboxylic acid
PubChem CID83842367
Molecular FormulaC11H9ClN2O2
Molecular Weight236.66 g/mol
Exact Mass236.04
IUPAC Name2-chloro-3-cyclopropylbenzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2nc(Cl)n(C3CC3)c2c1
InChIInChI=1S/C11H9ClN2O2/c12-11-13-8-4-1-6(10(15)16)5-9(8)14(11)7-2-3-7/h1,4-5,7H,2-3H2,(H,15,16)
InChIKeyVQYFXZYKGRQTGY-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-3-cyclopropylbenzimidazole-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

2-chloro-1-cyclopropylbenzimidazole-5-carboxylic acid
CID 83842368
2-amino-3-cyclopropylbenzimidazole-5-carboxylic acid
CID 84785186
2-ethyl-3-(4-methylcyclohexyl)benzimidazole-5-carboxylic acid
CID 82769955
3-cyclopentyl-2-propan-2-ylbenzimidazole-5-carboxylic acid
CID 80502987
2-methyl-3-(3-methylcyclopentyl)benzimidazole-5-carboxylic acid
CID 114549178
2-cyclopropyl-3-(3-methylcyclopentyl)benzimidazole-5-carboxylic acid
CID 114549169
3-(oxan-4-yl)-2-propan-2-ylbenzimidazole-5-carboxylic acid
CID 82770602
2-chloro-1-cyclopropylbenzimidazole-4-carboxylic acid
CID 83842366
1-(3-cyclopropyl-2-methylbenzimidazol-5-yl)ethanone
CID 83886321
3-(3-hydroxycyclobutyl)-2-methylbenzimidazole-5-carboxylic acid
CID 82790564
3-cyclopropylbenzotriazole-5-carboxylic acid
CID 82784612
2-methyl-3-(oxolan-3-yl)benzimidazole-5-carboxylic acid
CID 82790330

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-cyclopropylbenzimidazole-5-carboxylic acid?
The IUPAC name of 2-chloro-3-cyclopropylbenzimidazole-5-carboxylic acid (CID 83842367) is 2-chloro-3-cyclopropylbenzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-chloro-3-cyclopropylbenzimidazole-5-carboxylic acid?
The canonical SMILES for 2-chloro-3-cyclopropylbenzimidazole-5-carboxylic acid is O=C(O)c1ccc2nc(Cl)n(C3CC3)c2c1.
What is the InChIKey of 2-chloro-3-cyclopropylbenzimidazole-5-carboxylic acid?
The InChIKey is VQYFXZYKGRQTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2/c12-11-13-8-4-1-6(10(15)16)5-9(8)14(11)7-2-3-7/h1,4-5,7H,2-3H2,(H,15,16).
What are the key properties of 2-chloro-3-cyclopropylbenzimidazole-5-carboxylic acid?
2-chloro-3-cyclopropylbenzimidazole-5-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-3-cyclopropylbenzimidazole-5-carboxylic acid is sourced from PubChem (CID 83842367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).