2-(2-ethylbenzimidazol-1-yl)-4-methylcyclohexane-1-carbonitrile

C17H21N3 — CID 63104681

IUPAC2-(2-ethylbenzimidazol-1-yl)-4-methylcyclohexane-1-carbonitrile
SMILESCCc1nc2ccccc2n1C1CC(C)CCC1C#N
InChIInChI=1S/C17H21N3/c1-3-17-19-14-6-4-5-7-15(14)20(17)16-10-12(2)8-9-13(16)11-18/h4-7,12-13,16H,3,8-10H2,1-2H3
InChIKeyDCBKGFXXYWXOTM-UHFFFAOYSA-N
MW267.38 g/mol
LogP4.10
Rot. Bonds2

About 2-(2-ethylbenzimidazol-1-yl)-4-methylcyclohexane-1-carbonitrile

2-(2-ethylbenzimidazol-1-yl)-4-methylcyclohexane-1-carbonitrile (PubChem CID 63104681) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 2-(2-ethylbenzimidazol-1-yl)-4-methylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-(2-ethylbenzimidazol-1-yl)-4-methylcyclohexane-1-carbonitrile
PubChem CID63104681
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name2-(2-ethylbenzimidazol-1-yl)-4-methylcyclohexane-1-carbonitrile
SMILESCCc1nc2ccccc2n1C1CC(C)CCC1C#N
InChIInChI=1S/C17H21N3/c1-3-17-19-14-6-4-5-7-15(14)20(17)16-10-12(2)8-9-13(16)11-18/h4-7,12-13,16H,3,8-10H2,1-2H3
InChIKeyDCBKGFXXYWXOTM-UHFFFAOYSA-N
XLogP4.10
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethylbenzimidazol-1-yl)cycloheptan-1-ol
CID 63105437
2-(2-chloroethyl)-1-(2-methylcyclopropyl)benzimidazole
CID 62409588
2-(2-propylbenzimidazol-1-yl)cyclobutane-1-carboxylic acid
CID 112632122
2-(2-propylbenzimidazol-1-yl)cyclohexan-1-amine
CID 112632185
2-[1-(2-hydroxycyclopentyl)benzimidazol-2-yl]acetonitrile
CID 63638253
2-(benzimidazol-1-yl)-4-propylcyclohexane-1-carbonitrile
CID 43292077
2-(1-cyclohexylbenzimidazol-2-yl)acetonitrile
CID 63638067
2-(2-propylbenzimidazol-1-yl)cyclopentane-1-carboxylic acid
CID 115971173
3-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]cyclopentan-1-amine
CID 114544004
2-ethyl-1-[(3S)-oxan-3-yl]benzimidazole
CID 123829845
(NZ)-N-[3-(2-ethylbenzimidazol-1-yl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
CID 43834615
N-ethyl-2-(2-propylbenzimidazol-1-yl)cyclopentan-1-amine
CID 115970696

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylbenzimidazol-1-yl)-4-methylcyclohexane-1-carbonitrile?
The IUPAC name of 2-(2-ethylbenzimidazol-1-yl)-4-methylcyclohexane-1-carbonitrile (CID 63104681) is 2-(2-ethylbenzimidazol-1-yl)-4-methylcyclohexane-1-carbonitrile.
What is the SMILES notation for 2-(2-ethylbenzimidazol-1-yl)-4-methylcyclohexane-1-carbonitrile?
The canonical SMILES for 2-(2-ethylbenzimidazol-1-yl)-4-methylcyclohexane-1-carbonitrile is CCc1nc2ccccc2n1C1CC(C)CCC1C#N.
What is the InChIKey of 2-(2-ethylbenzimidazol-1-yl)-4-methylcyclohexane-1-carbonitrile?
The InChIKey is DCBKGFXXYWXOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-3-17-19-14-6-4-5-7-15(14)20(17)16-10-12(2)8-9-13(16)11-18/h4-7,12-13,16H,3,8-10H2,1-2H3.
What are the key properties of 2-(2-ethylbenzimidazol-1-yl)-4-methylcyclohexane-1-carbonitrile?
2-(2-ethylbenzimidazol-1-yl)-4-methylcyclohexane-1-carbonitrile has a molecular weight of 267.38 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylbenzimidazol-1-yl)-4-methylcyclohexane-1-carbonitrile is sourced from PubChem (CID 63104681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).