4-[[5-(2-fluorophenyl)imidazol-1-yl]methyl]benzonitrile

C17H12FN3 — CID 45103912

IUPAC4-[[5-(2-fluorophenyl)imidazol-1-yl]methyl]benzonitrile
SMILESN#Cc1ccc(Cn2cncc2-c2ccccc2F)cc1
InChIInChI=1S/C17H12FN3/c18-16-4-2-1-3-15(16)17-10-20-12-21(17)11-14-7-5-13(9-19)6-8-14/h1-8,10,12H,11H2
InChIKeyHPGUXAXJZVHMRJ-UHFFFAOYSA-N
MW277.30 g/mol
LogP3.61
Rot. Bonds3

About 4-[[5-(2-fluorophenyl)imidazol-1-yl]methyl]benzonitrile

4-[[5-(2-fluorophenyl)imidazol-1-yl]methyl]benzonitrile (PubChem CID 45103912) has the molecular formula C17H12FN3 and a molecular weight of 277.30 g/mol. Its IUPAC name is 4-[[5-(2-fluorophenyl)imidazol-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[5-(2-fluorophenyl)imidazol-1-yl]methyl]benzonitrile
PubChem CID45103912
Molecular FormulaC17H12FN3
Molecular Weight277.30 g/mol
Exact Mass277.10
IUPAC Name4-[[5-(2-fluorophenyl)imidazol-1-yl]methyl]benzonitrile
SMILESN#Cc1ccc(Cn2cncc2-c2ccccc2F)cc1
InChIInChI=1S/C17H12FN3/c18-16-4-2-1-3-15(16)17-10-20-12-21(17)11-14-7-5-13(9-19)6-8-14/h1-8,10,12H,11H2
InChIKeyHPGUXAXJZVHMRJ-UHFFFAOYSA-N
XLogP3.61
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[[5-(2-fluorophenyl)imidazol-1-yl]methyl]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-[[5-(2-fluorophenyl)imidazol-1-yl]methyl]benzonitrile?
The IUPAC name of 4-[[5-(2-fluorophenyl)imidazol-1-yl]methyl]benzonitrile (CID 45103912) is 4-[[5-(2-fluorophenyl)imidazol-1-yl]methyl]benzonitrile.
What is the SMILES notation for 4-[[5-(2-fluorophenyl)imidazol-1-yl]methyl]benzonitrile?
The canonical SMILES for 4-[[5-(2-fluorophenyl)imidazol-1-yl]methyl]benzonitrile is N#Cc1ccc(Cn2cncc2-c2ccccc2F)cc1.
What is the InChIKey of 4-[[5-(2-fluorophenyl)imidazol-1-yl]methyl]benzonitrile?
The InChIKey is HPGUXAXJZVHMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3/c18-16-4-2-1-3-15(16)17-10-20-12-21(17)11-14-7-5-13(9-19)6-8-14/h1-8,10,12H,11H2.
What are the key properties of 4-[[5-(2-fluorophenyl)imidazol-1-yl]methyl]benzonitrile?
4-[[5-(2-fluorophenyl)imidazol-1-yl]methyl]benzonitrile has a molecular weight of 277.30 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(2-fluorophenyl)imidazol-1-yl]methyl]benzonitrile is sourced from PubChem (CID 45103912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).