4-(1-imidazol-1-ylcyclopentyl)benzonitrile

C15H15N3 — CID 14231162

IUPAC4-(1-imidazol-1-ylcyclopentyl)benzonitrile
SMILESN#Cc1ccc(C2(n3ccnc3)CCCC2)cc1
InChIInChI=1S/C15H15N3/c16-11-13-3-5-14(6-4-13)15(7-1-2-8-15)18-10-9-17-12-18/h3-6,9-10,12H,1-2,7-8H2
InChIKeyASTKCJOLFBZJKC-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.07
Rot. Bonds2

About 4-(1-imidazol-1-ylcyclopentyl)benzonitrile

4-(1-imidazol-1-ylcyclopentyl)benzonitrile (PubChem CID 14231162) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 4-(1-imidazol-1-ylcyclopentyl)benzonitrile.

Molecular Properties

Compound Name4-(1-imidazol-1-ylcyclopentyl)benzonitrile
PubChem CID14231162
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name4-(1-imidazol-1-ylcyclopentyl)benzonitrile
SMILESN#Cc1ccc(C2(n3ccnc3)CCCC2)cc1
InChIInChI=1S/C15H15N3/c16-11-13-3-5-14(6-4-13)15(7-1-2-8-15)18-10-9-17-12-18/h3-6,9-10,12H,1-2,7-8H2
InChIKeyASTKCJOLFBZJKC-UHFFFAOYSA-N
XLogP3.07
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(1-imidazol-1-ylcyclopentyl)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(1-imidazol-1-ylcyclopentyl)benzonitrile?
The IUPAC name of 4-(1-imidazol-1-ylcyclopentyl)benzonitrile (CID 14231162) is 4-(1-imidazol-1-ylcyclopentyl)benzonitrile.
What is the SMILES notation for 4-(1-imidazol-1-ylcyclopentyl)benzonitrile?
The canonical SMILES for 4-(1-imidazol-1-ylcyclopentyl)benzonitrile is N#Cc1ccc(C2(n3ccnc3)CCCC2)cc1.
What is the InChIKey of 4-(1-imidazol-1-ylcyclopentyl)benzonitrile?
The InChIKey is ASTKCJOLFBZJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c16-11-13-3-5-14(6-4-13)15(7-1-2-8-15)18-10-9-17-12-18/h3-6,9-10,12H,1-2,7-8H2.
What are the key properties of 4-(1-imidazol-1-ylcyclopentyl)benzonitrile?
4-(1-imidazol-1-ylcyclopentyl)benzonitrile has a molecular weight of 237.31 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-imidazol-1-ylcyclopentyl)benzonitrile is sourced from PubChem (CID 14231162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).