2-(2,2-dimethylcyclopentyl)-1-methylbenzimidazole-4-carbonitrile

C16H19N3 — CID 107184973

IUPAC2-(2,2-dimethylcyclopentyl)-1-methylbenzimidazole-4-carbonitrile
SMILESCn1c(C2CCCC2(C)C)nc2c(C#N)cccc21
InChIInChI=1S/C16H19N3/c1-16(2)9-5-7-12(16)15-18-14-11(10-17)6-4-8-13(14)19(15)3/h4,6,8,12H,5,7,9H2,1-3H3
InChIKeyAUVWKXKTHQHGDK-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.74
Rot. Bonds1

About 2-(2,2-dimethylcyclopentyl)-1-methylbenzimidazole-4-carbonitrile

2-(2,2-dimethylcyclopentyl)-1-methylbenzimidazole-4-carbonitrile (PubChem CID 107184973) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-(2,2-dimethylcyclopentyl)-1-methylbenzimidazole-4-carbonitrile.

Molecular Properties

Compound Name2-(2,2-dimethylcyclopentyl)-1-methylbenzimidazole-4-carbonitrile
PubChem CID107184973
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name2-(2,2-dimethylcyclopentyl)-1-methylbenzimidazole-4-carbonitrile
SMILESCn1c(C2CCCC2(C)C)nc2c(C#N)cccc21
InChIInChI=1S/C16H19N3/c1-16(2)9-5-7-12(16)15-18-14-11(10-17)6-4-8-13(14)19(15)3/h4,6,8,12H,5,7,9H2,1-3H3
InChIKeyAUVWKXKTHQHGDK-UHFFFAOYSA-N
XLogP3.74
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4,4-difluorocyclohexyl)-1-methylbenzimidazole-4-carbonitrile
CID 104720719
2-(chloromethyl)-1-(2,2-dimethylcyclopentyl)benzimidazole-4-carbonitrile
CID 104719821
2-[(2,2-dimethylcyclopentyl)amino]quinoline-3,8-dicarbonitrile
CID 140819673
2-amino-1-[(1-methylcyclopentyl)methyl]benzimidazole-4-carbonitrile
CID 104718989
1-methyl-2-pentan-3-ylbenzimidazole-4-carbonitrile
CID 104720828
2-(2-hydroxypropan-2-yl)-1-methylbenzimidazole-4-carbonitrile
CID 104720721
2-amino-1-(2-methylcyclopentyl)benzimidazole-4-carbonitrile
CID 104718975
2-[4-(dimethylamino)phenyl]-1-methylbenzimidazole-4-carbonitrile
CID 104720831
1-methyl-2-(1-methyltriazol-4-yl)benzimidazole-4-carbonitrile
CID 112735729
2-(2,2-dimethylpropyl)-1-methylbenzimidazole-4-carbonitrile
CID 113445193
2-(1-chloroethyl)-1-(3,3-dimethylcyclopentyl)benzimidazole-4-carbonitrile
CID 114548704
2-amino-1-(1-methylpiperidin-3-yl)benzimidazole-4-carbonitrile
CID 104718799

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylcyclopentyl)-1-methylbenzimidazole-4-carbonitrile?
The IUPAC name of 2-(2,2-dimethylcyclopentyl)-1-methylbenzimidazole-4-carbonitrile (CID 107184973) is 2-(2,2-dimethylcyclopentyl)-1-methylbenzimidazole-4-carbonitrile.
What is the SMILES notation for 2-(2,2-dimethylcyclopentyl)-1-methylbenzimidazole-4-carbonitrile?
The canonical SMILES for 2-(2,2-dimethylcyclopentyl)-1-methylbenzimidazole-4-carbonitrile is Cn1c(C2CCCC2(C)C)nc2c(C#N)cccc21.
What is the InChIKey of 2-(2,2-dimethylcyclopentyl)-1-methylbenzimidazole-4-carbonitrile?
The InChIKey is AUVWKXKTHQHGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-16(2)9-5-7-12(16)15-18-14-11(10-17)6-4-8-13(14)19(15)3/h4,6,8,12H,5,7,9H2,1-3H3.
What are the key properties of 2-(2,2-dimethylcyclopentyl)-1-methylbenzimidazole-4-carbonitrile?
2-(2,2-dimethylcyclopentyl)-1-methylbenzimidazole-4-carbonitrile has a molecular weight of 253.35 g/mol, XLogP of 3.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylcyclopentyl)-1-methylbenzimidazole-4-carbonitrile is sourced from PubChem (CID 107184973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).