2-(2,2-dimethylcyclopentyl)-3H-benzimidazole-5-carbonitrile

C15H17N3 — CID 107184925

IUPAC2-(2,2-dimethylcyclopentyl)-3H-benzimidazole-5-carbonitrile
SMILESCC1(C)CCCC1c1nc2ccc(C#N)cc2[nH]1
InChIInChI=1S/C15H17N3/c1-15(2)7-3-4-11(15)14-17-12-6-5-10(9-16)8-13(12)18-14/h5-6,8,11H,3-4,7H2,1-2H3,(H,17,18)
InChIKeyOLWCZPOSZDTNLK-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.73
Rot. Bonds1

About 2-(2,2-dimethylcyclopentyl)-3H-benzimidazole-5-carbonitrile

2-(2,2-dimethylcyclopentyl)-3H-benzimidazole-5-carbonitrile (PubChem CID 107184925) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-(2,2-dimethylcyclopentyl)-3H-benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-(2,2-dimethylcyclopentyl)-3H-benzimidazole-5-carbonitrile
PubChem CID107184925
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name2-(2,2-dimethylcyclopentyl)-3H-benzimidazole-5-carbonitrile
SMILESCC1(C)CCCC1c1nc2ccc(C#N)cc2[nH]1
InChIInChI=1S/C15H17N3/c1-15(2)7-3-4-11(15)14-17-12-6-5-10(9-16)8-13(12)18-14/h5-6,8,11H,3-4,7H2,1-2H3,(H,17,18)
InChIKeyOLWCZPOSZDTNLK-UHFFFAOYSA-N
XLogP3.73
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylcyclopentyl)-3H-benzimidazole-5-carbonitrile?
The IUPAC name of 2-(2,2-dimethylcyclopentyl)-3H-benzimidazole-5-carbonitrile (CID 107184925) is 2-(2,2-dimethylcyclopentyl)-3H-benzimidazole-5-carbonitrile.
What is the SMILES notation for 2-(2,2-dimethylcyclopentyl)-3H-benzimidazole-5-carbonitrile?
The canonical SMILES for 2-(2,2-dimethylcyclopentyl)-3H-benzimidazole-5-carbonitrile is CC1(C)CCCC1c1nc2ccc(C#N)cc2[nH]1.
What is the InChIKey of 2-(2,2-dimethylcyclopentyl)-3H-benzimidazole-5-carbonitrile?
The InChIKey is OLWCZPOSZDTNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-15(2)7-3-4-11(15)14-17-12-6-5-10(9-16)8-13(12)18-14/h5-6,8,11H,3-4,7H2,1-2H3,(H,17,18).
What are the key properties of 2-(2,2-dimethylcyclopentyl)-3H-benzimidazole-5-carbonitrile?
2-(2,2-dimethylcyclopentyl)-3H-benzimidazole-5-carbonitrile has a molecular weight of 239.32 g/mol, XLogP of 3.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylcyclopentyl)-3H-benzimidazole-5-carbonitrile is sourced from PubChem (CID 107184925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).