2-(1-ethyl-5-methylbenzimidazol-2-yl)cyclohexane-1-carboxylic acid

C17H22N2O2 — CID 60784348

IUPAC2-(1-ethyl-5-methylbenzimidazol-2-yl)cyclohexane-1-carboxylic acid
SMILESCCn1c(C2CCCCC2C(=O)O)nc2cc(C)ccc21
InChIInChI=1S/C17H22N2O2/c1-3-19-15-9-8-11(2)10-14(15)18-16(19)12-6-4-5-7-13(12)17(20)21/h8-10,12-13H,3-7H2,1-2H3,(H,20,21)
InChIKeyWVZNINRBJDRIEE-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.72
Rot. Bonds3

About 2-(1-ethyl-5-methylbenzimidazol-2-yl)cyclohexane-1-carboxylic acid

2-(1-ethyl-5-methylbenzimidazol-2-yl)cyclohexane-1-carboxylic acid (PubChem CID 60784348) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-(1-ethyl-5-methylbenzimidazol-2-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(1-ethyl-5-methylbenzimidazol-2-yl)cyclohexane-1-carboxylic acid
PubChem CID60784348
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name2-(1-ethyl-5-methylbenzimidazol-2-yl)cyclohexane-1-carboxylic acid
SMILESCCn1c(C2CCCCC2C(=O)O)nc2cc(C)ccc21
InChIInChI=1S/C17H22N2O2/c1-3-19-15-9-8-11(2)10-14(15)18-16(19)12-6-4-5-7-13(12)17(20)21/h8-10,12-13H,3-7H2,1-2H3,(H,20,21)
InChIKeyWVZNINRBJDRIEE-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)cyclopentane-1-carboxylic acid
CID 103979426
2-(5-bromo-1-ethylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid
CID 54918802
2-(5-fluoro-1-methylbenzimidazol-2-yl)cyclohexane-1-carboxylic acid
CID 60783416
(1S,6R)-6-(1-ethyl-5-fluorobenzimidazol-2-yl)cyclohex-3-ene-1-carboxylic acid
CID 104962914
trans-(1R,2R)-2-(1-ethylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid
CID 135377773
1-ethyl-5-methyl-2-piperidin-3-ylbenzimidazole
CID 54920145
2-(6-methyl-1H-benzimidazol-2-yl)cyclohexane-1-carboxylic acid
CID 43379455
2-[1-[(4-methylphenyl)methyl]-6-[(5-methyl-2-pyridinyl)methoxy]benzimidazol-2-yl]cyclohexane-1-carboxylic acid
CID 90410510
trans-(1R,2R)-2-(4-methylphenyl)cyclohexane-1-carboxylic acid
CID 54256967
2-cyclopentyl-1-ethylbenzimidazol-5-amine
CID 82391011
(1S,6R)-6-(1-ethylimidazo[4,5-c]pyridin-2-yl)cyclohex-3-ene-1-carboxylic acid
CID 104962934
(1S)-2-[1-[[3-(6-methyl-3-pyridinyl)phenyl]methyl]-5-(quinolin-2-ylmethoxy)benzimidazol-2-yl]cyclohexane-1-carboxylic acid
CID 90440791

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-5-methylbenzimidazol-2-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(1-ethyl-5-methylbenzimidazol-2-yl)cyclohexane-1-carboxylic acid (CID 60784348) is 2-(1-ethyl-5-methylbenzimidazol-2-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(1-ethyl-5-methylbenzimidazol-2-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(1-ethyl-5-methylbenzimidazol-2-yl)cyclohexane-1-carboxylic acid is CCn1c(C2CCCCC2C(=O)O)nc2cc(C)ccc21.
What is the InChIKey of 2-(1-ethyl-5-methylbenzimidazol-2-yl)cyclohexane-1-carboxylic acid?
The InChIKey is WVZNINRBJDRIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-3-19-15-9-8-11(2)10-14(15)18-16(19)12-6-4-5-7-13(12)17(20)21/h8-10,12-13H,3-7H2,1-2H3,(H,20,21).
What are the key properties of 2-(1-ethyl-5-methylbenzimidazol-2-yl)cyclohexane-1-carboxylic acid?
2-(1-ethyl-5-methylbenzimidazol-2-yl)cyclohexane-1-carboxylic acid has a molecular weight of 286.38 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-5-methylbenzimidazol-2-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 60784348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).