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

C16H20N2O2 — CID 115543899

IUPAC1-(2,2-dimethylcyclohexyl)benzimidazole-4-carboxylic acid
SMILESCC1(C)CCCCC1n1cnc2c(C(=O)O)cccc21
InChIInChI=1S/C16H20N2O2/c1-16(2)9-4-3-8-13(16)18-10-17-14-11(15(19)20)6-5-7-12(14)18/h5-7,10,13H,3-4,8-9H2,1-2H3,(H,19,20)
InChIKeyLBWBFURLFVCREV-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.88
Rot. Bonds2

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

1-(2,2-dimethylcyclohexyl)benzimidazole-4-carboxylic acid (PubChem CID 115543899) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclohexyl)benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(2,2-dimethylcyclohexyl)benzimidazole-4-carboxylic acid
PubChem CID115543899
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-(2,2-dimethylcyclohexyl)benzimidazole-4-carboxylic acid
SMILESCC1(C)CCCCC1n1cnc2c(C(=O)O)cccc21
InChIInChI=1S/C16H20N2O2/c1-16(2)9-4-3-8-13(16)18-10-17-14-11(15(19)20)6-5-7-12(14)18/h5-7,10,13H,3-4,8-9H2,1-2H3,(H,19,20)
InChIKeyLBWBFURLFVCREV-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methylpiperidin-3-yl)benzimidazole-4-carboxylic acid
CID 115543201
1-(2,4-dimethylcyclohexyl)benzimidazole-4-carboxylic acid
CID 115543686
1-[(1-methylcyclobutyl)methyl]benzimidazole-4-carboxylic acid
CID 114109191
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-(2-phenylcyclopropyl)benzimidazole-4-carboxylic acid
CID 115543379
1-[[2-(hydroxymethyl)cyclohexyl]methyl]benzimidazole-4-carboxylic acid
CID 115543824
1-[(2-hydroxycyclopentyl)methyl]benzimidazole-4-carboxylic acid
CID 115543820
1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazole-4-carboxylic acid
CID 114137775
1-(2,2-dimethylcyclohexyl)-6-oxopyridine-3-carboxylic acid
CID 79878468
1-(4-methylpiperazin-1-yl)benzimidazole-4-carboxylic acid
CID 83019459

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclohexyl)benzimidazole-4-carboxylic acid?
The IUPAC name of 1-(2,2-dimethylcyclohexyl)benzimidazole-4-carboxylic acid (CID 115543899) is 1-(2,2-dimethylcyclohexyl)benzimidazole-4-carboxylic acid.
What is the SMILES notation for 1-(2,2-dimethylcyclohexyl)benzimidazole-4-carboxylic acid?
The canonical SMILES for 1-(2,2-dimethylcyclohexyl)benzimidazole-4-carboxylic acid is CC1(C)CCCCC1n1cnc2c(C(=O)O)cccc21.
What is the InChIKey of 1-(2,2-dimethylcyclohexyl)benzimidazole-4-carboxylic acid?
The InChIKey is LBWBFURLFVCREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-16(2)9-4-3-8-13(16)18-10-17-14-11(15(19)20)6-5-7-12(14)18/h5-7,10,13H,3-4,8-9H2,1-2H3,(H,19,20).
What are the key properties of 1-(2,2-dimethylcyclohexyl)benzimidazole-4-carboxylic acid?
1-(2,2-dimethylcyclohexyl)benzimidazole-4-carboxylic acid has a molecular weight of 272.35 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclohexyl)benzimidazole-4-carboxylic acid is sourced from PubChem (CID 115543899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).