2-methyl-1-(4-methylcyclohexyl)benzimidazole-5-carboxylic acid

C16H20N2O2 — CID 43322927

IUPAC2-methyl-1-(4-methylcyclohexyl)benzimidazole-5-carboxylic acid
SMILESCc1nc2cc(C(=O)O)ccc2n1C1CCC(C)CC1
InChIInChI=1S/C16H20N2O2/c1-10-3-6-13(7-4-10)18-11(2)17-14-9-12(16(19)20)5-8-15(14)18/h5,8-10,13H,3-4,6-7H2,1-2H3,(H,19,20)
InChIKeyXYUHDVMWRKJTAF-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.79
Rot. Bonds2

About 2-methyl-1-(4-methylcyclohexyl)benzimidazole-5-carboxylic acid

2-methyl-1-(4-methylcyclohexyl)benzimidazole-5-carboxylic acid (PubChem CID 43322927) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-methyl-1-(4-methylcyclohexyl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(4-methylcyclohexyl)benzimidazole-5-carboxylic acid
PubChem CID43322927
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-methyl-1-(4-methylcyclohexyl)benzimidazole-5-carboxylic acid
SMILESCc1nc2cc(C(=O)O)ccc2n1C1CCC(C)CC1
InChIInChI=1S/C16H20N2O2/c1-10-3-6-13(7-4-10)18-11(2)17-14-9-12(16(19)20)5-8-15(14)18/h5,8-10,13H,3-4,6-7H2,1-2H3,(H,19,20)
InChIKeyXYUHDVMWRKJTAF-UHFFFAOYSA-N
XLogP3.79
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-1-(4-methylcyclohexyl)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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methylcyclohexyl)benzimidazole-5-carboxylic acid?
The IUPAC name of 2-methyl-1-(4-methylcyclohexyl)benzimidazole-5-carboxylic acid (CID 43322927) is 2-methyl-1-(4-methylcyclohexyl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(4-methylcyclohexyl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-methyl-1-(4-methylcyclohexyl)benzimidazole-5-carboxylic acid is Cc1nc2cc(C(=O)O)ccc2n1C1CCC(C)CC1.
What is the InChIKey of 2-methyl-1-(4-methylcyclohexyl)benzimidazole-5-carboxylic acid?
The InChIKey is XYUHDVMWRKJTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-10-3-6-13(7-4-10)18-11(2)17-14-9-12(16(19)20)5-8-15(14)18/h5,8-10,13H,3-4,6-7H2,1-2H3,(H,19,20).
What are the key properties of 2-methyl-1-(4-methylcyclohexyl)benzimidazole-5-carboxylic acid?
2-methyl-1-(4-methylcyclohexyl)benzimidazole-5-carboxylic acid has a molecular weight of 272.35 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methylcyclohexyl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 43322927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).