1-(2,4-dimethylcyclohexyl)benzimidazole-4-carboxylic acid

C16H20N2O2 — CID 115543686

IUPAC1-(2,4-dimethylcyclohexyl)benzimidazole-4-carboxylic acid
SMILESCC1CCC(n2cnc3c(C(=O)O)cccc32)C(C)C1
InChIInChI=1S/C16H20N2O2/c1-10-6-7-13(11(2)8-10)18-9-17-15-12(16(19)20)4-3-5-14(15)18/h3-5,9-11,13H,6-8H2,1-2H3,(H,19,20)
InChIKeyIOYKNAVVAYLQKF-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.73
Rot. Bonds2

About 1-(2,4-dimethylcyclohexyl)benzimidazole-4-carboxylic acid

1-(2,4-dimethylcyclohexyl)benzimidazole-4-carboxylic acid (PubChem CID 115543686) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-(2,4-dimethylcyclohexyl)benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(2,4-dimethylcyclohexyl)benzimidazole-4-carboxylic acid
PubChem CID115543686
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-(2,4-dimethylcyclohexyl)benzimidazole-4-carboxylic acid
SMILESCC1CCC(n2cnc3c(C(=O)O)cccc32)C(C)C1
InChIInChI=1S/C16H20N2O2/c1-10-6-7-13(11(2)8-10)18-9-17-15-12(16(19)20)4-3-5-14(15)18/h3-5,9-11,13H,6-8H2,1-2H3,(H,19,20)
InChIKeyIOYKNAVVAYLQKF-UHFFFAOYSA-N
XLogP3.73
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 ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-phenylcyclopropyl)benzimidazole-4-carboxylic acid
CID 115543379
1-(2,4-dimethylcyclohexyl)benzimidazole-5-carboxylic acid
CID 63998776
1-(1-methylpiperidin-3-yl)benzimidazole-4-carboxylic acid
CID 115543201
1-(2,2-dimethylcyclohexyl)benzimidazole-4-carboxylic acid
CID 115543899
1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)benzimidazole-4-carboxylic acid
CID 115543965
1-(1-methyl-2,6-dioxopiperidin-3-yl)benzimidazole-4-carboxylic acid
CID 115543827
1-(1-methyl-6-oxopiperidin-3-yl)benzimidazole-4-carboxylic acid
CID 115543746
1-(4-methylpiperazin-1-yl)benzimidazole-4-carboxylic acid
CID 83019459
1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazole-4-carboxylic acid
CID 114137775
1-[(2-hydroxycyclopentyl)methyl]benzimidazole-4-carboxylic acid
CID 115543820
1-(2-methylcycloheptyl)benzotriazole-4-carboxylic acid
CID 115541950
3-(3-ethyl-2-methylcyclopentyl)benzimidazole-4-carboxylic acid
CID 115933499

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylcyclohexyl)benzimidazole-4-carboxylic acid?
The IUPAC name of 1-(2,4-dimethylcyclohexyl)benzimidazole-4-carboxylic acid (CID 115543686) is 1-(2,4-dimethylcyclohexyl)benzimidazole-4-carboxylic acid.
What is the SMILES notation for 1-(2,4-dimethylcyclohexyl)benzimidazole-4-carboxylic acid?
The canonical SMILES for 1-(2,4-dimethylcyclohexyl)benzimidazole-4-carboxylic acid is CC1CCC(n2cnc3c(C(=O)O)cccc32)C(C)C1.
What is the InChIKey of 1-(2,4-dimethylcyclohexyl)benzimidazole-4-carboxylic acid?
The InChIKey is IOYKNAVVAYLQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-10-6-7-13(11(2)8-10)18-9-17-15-12(16(19)20)4-3-5-14(15)18/h3-5,9-11,13H,6-8H2,1-2H3,(H,19,20).
What are the key properties of 1-(2,4-dimethylcyclohexyl)benzimidazole-4-carboxylic acid?
1-(2,4-dimethylcyclohexyl)benzimidazole-4-carboxylic acid has a molecular weight of 272.35 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylcyclohexyl)benzimidazole-4-carboxylic acid is sourced from PubChem (CID 115543686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).