4-(1-imidazol-1-ylbutyl)benzonitrile

C14H15N3 — CID 14514362

IUPAC4-(1-imidazol-1-ylbutyl)benzonitrile
SMILESCCCC(c1ccc(C#N)cc1)n1ccnc1
InChIInChI=1S/C14H15N3/c1-2-3-14(17-9-8-16-11-17)13-6-4-12(10-15)5-7-13/h4-9,11,14H,2-3H2,1H3
InChIKeyYZNACZAGQWOURJ-UHFFFAOYSA-N
MW225.30 g/mol
LogP3.14
Rot. Bonds4

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

4-(1-imidazol-1-ylbutyl)benzonitrile (PubChem CID 14514362) has the molecular formula C14H15N3 and a molecular weight of 225.30 g/mol. Its IUPAC name is 4-(1-imidazol-1-ylbutyl)benzonitrile.

Molecular Properties

Compound Name4-(1-imidazol-1-ylbutyl)benzonitrile
PubChem CID14514362
Molecular FormulaC14H15N3
Molecular Weight225.30 g/mol
Exact Mass225.13
IUPAC Name4-(1-imidazol-1-ylbutyl)benzonitrile
SMILESCCCC(c1ccc(C#N)cc1)n1ccnc1
InChIInChI=1S/C14H15N3/c1-2-3-14(17-9-8-16-11-17)13-6-4-12(10-15)5-7-13/h4-9,11,14H,2-3H2,1H3
InChIKeyYZNACZAGQWOURJ-UHFFFAOYSA-N
XLogP3.14
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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

Launch Full Analysis

Related Compounds

4-(3-hydroxy-1-imidazol-1-ylpropyl)benzonitrile
CID 18779690
1-[1-(4-methylphenyl)butyl]imidazole
CID 90765635
1-[1-(4-pentylphenyl)butyl]imidazole
CID 91168705
1-[1-[4-(methoxymethyl)phenyl]butyl]imidazole
CID 14514379
4-[2-(4-hydroxyphenyl)-1-imidazol-1-ylethyl]benzonitrile
CID 14231133
1-[1-[4-(butoxymethyl)phenyl]butyl]imidazole
CID 14514380
1-[1-[4-(phenoxymethyl)phenyl]butyl]imidazole
CID 14514381
propan-2-yl 4-(1-imidazol-1-ylbutyl)benzoate
CID 54557825
1-[4-(1-imidazol-1-ylbutyl)phenyl]-2-propylhexadecan-1-one
CID 142779092
6-(1-imidazol-1-ylbutyl)-2,3-dihydroinden-1-one
CID 14850679
4-[bromo-(3-bromophenyl)-phenylmethoxy]-3-(1-imidazol-1-ylbutyl)benzonitrile
CID 141146681
[6-(1-imidazol-1-ylbutyl)-1H-benzimidazol-2-yl]carbamic acid
CID 21241849

Frequently Asked Questions

What is the IUPAC name of 4-(1-imidazol-1-ylbutyl)benzonitrile?
The IUPAC name of 4-(1-imidazol-1-ylbutyl)benzonitrile (CID 14514362) is 4-(1-imidazol-1-ylbutyl)benzonitrile.
What is the SMILES notation for 4-(1-imidazol-1-ylbutyl)benzonitrile?
The canonical SMILES for 4-(1-imidazol-1-ylbutyl)benzonitrile is CCCC(c1ccc(C#N)cc1)n1ccnc1.
What is the InChIKey of 4-(1-imidazol-1-ylbutyl)benzonitrile?
The InChIKey is YZNACZAGQWOURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3/c1-2-3-14(17-9-8-16-11-17)13-6-4-12(10-15)5-7-13/h4-9,11,14H,2-3H2,1H3.
What are the key properties of 4-(1-imidazol-1-ylbutyl)benzonitrile?
4-(1-imidazol-1-ylbutyl)benzonitrile has a molecular weight of 225.30 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-imidazol-1-ylbutyl)benzonitrile is sourced from PubChem (CID 14514362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).