2-ethyl-3-(4-methylcyclohexyl)benzimidazole-5-carboxylic acid

C17H22N2O2 — CID 82769955

IUPAC2-ethyl-3-(4-methylcyclohexyl)benzimidazole-5-carboxylic acid
SMILESCCc1nc2ccc(C(=O)O)cc2n1C1CCC(C)CC1
InChIInChI=1S/C17H22N2O2/c1-3-16-18-14-9-6-12(17(20)21)10-15(14)19(16)13-7-4-11(2)5-8-13/h6,9-11,13H,3-5,7-8H2,1-2H3,(H,20,21)
InChIKeyGPSVPDCCAUGSNW-UHFFFAOYSA-N
MW286.38 g/mol
LogP4.05
Rot. Bonds3

About 2-ethyl-3-(4-methylcyclohexyl)benzimidazole-5-carboxylic acid

2-ethyl-3-(4-methylcyclohexyl)benzimidazole-5-carboxylic acid (PubChem CID 82769955) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-ethyl-3-(4-methylcyclohexyl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-3-(4-methylcyclohexyl)benzimidazole-5-carboxylic acid
PubChem CID82769955
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name2-ethyl-3-(4-methylcyclohexyl)benzimidazole-5-carboxylic acid
SMILESCCc1nc2ccc(C(=O)O)cc2n1C1CCC(C)CC1
InChIInChI=1S/C17H22N2O2/c1-3-16-18-14-9-6-12(17(20)21)10-15(14)19(16)13-7-4-11(2)5-8-13/h6,9-11,13H,3-5,7-8H2,1-2H3,(H,20,21)
InChIKeyGPSVPDCCAUGSNW-UHFFFAOYSA-N
XLogP4.05
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-3-(3-methylcyclohexyl)benzimidazole-5-carboxylic acid
CID 82770160
2-ethyl-3-(thiolan-3-yl)benzimidazole-5-carboxylic acid
CID 103064218
3-(3,3-dimethylcyclopentyl)-2-ethylbenzimidazole-5-carboxylic acid
CID 114549190
2-methyl-3-(3-methylcyclopentyl)benzimidazole-5-carboxylic acid
CID 114549178
1-cyclopropyl-2-(2,2-dimethylpropyl)benzimidazole-5-carboxylic acid
CID 82488600
2-cyclopropyl-3-(3-methylcyclopentyl)benzimidazole-5-carboxylic acid
CID 114549169
2-amino-3-cyclopropylbenzimidazole-5-carboxylic acid
CID 84785186
2-chloro-3-cyclopropylbenzimidazole-5-carboxylic acid
CID 83842367
2-ethyl-3-methylbenzimidazole-5-carboxylic acid
CID 53409133
2-ethyl-1-(1-methylpyrrolidin-3-yl)benzimidazole-5-carboxylic acid
CID 61465273
2-methyl-1-(4-methylcyclohexyl)benzimidazole-5-carboxylic acid
CID 43322927
3-(1-cyclopropylbutan-2-yl)-2-ethylbenzimidazole-5-carboxylic acid
CID 82773276

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(4-methylcyclohexyl)benzimidazole-5-carboxylic acid?
The IUPAC name of 2-ethyl-3-(4-methylcyclohexyl)benzimidazole-5-carboxylic acid (CID 82769955) is 2-ethyl-3-(4-methylcyclohexyl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-ethyl-3-(4-methylcyclohexyl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-ethyl-3-(4-methylcyclohexyl)benzimidazole-5-carboxylic acid is CCc1nc2ccc(C(=O)O)cc2n1C1CCC(C)CC1.
What is the InChIKey of 2-ethyl-3-(4-methylcyclohexyl)benzimidazole-5-carboxylic acid?
The InChIKey is GPSVPDCCAUGSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-3-16-18-14-9-6-12(17(20)21)10-15(14)19(16)13-7-4-11(2)5-8-13/h6,9-11,13H,3-5,7-8H2,1-2H3,(H,20,21).
What are the key properties of 2-ethyl-3-(4-methylcyclohexyl)benzimidazole-5-carboxylic acid?
2-ethyl-3-(4-methylcyclohexyl)benzimidazole-5-carboxylic acid has a molecular weight of 286.38 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(4-methylcyclohexyl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 82769955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).