4-[imidazol-1-yl(1H-indol-4-yl)methyl]benzonitrile

C19H14N4 — CID 44577913

IUPAC4-[imidazol-1-yl(1H-indol-4-yl)methyl]benzonitrile
SMILESN#Cc1ccc(C(c2cccc3[nH]ccc23)n2ccnc2)cc1
InChIInChI=1S/C19H14N4/c20-12-14-4-6-15(7-5-14)19(23-11-10-21-13-23)17-2-1-3-18-16(17)8-9-22-18/h1-11,13,19,22H
InChIKeyLYPJPGBLFNASKO-UHFFFAOYSA-N
MW298.35 g/mol
LogP3.87
Rot. Bonds3

About 4-[imidazol-1-yl(1H-indol-4-yl)methyl]benzonitrile

4-[imidazol-1-yl(1H-indol-4-yl)methyl]benzonitrile (PubChem CID 44577913) has the molecular formula C19H14N4 and a molecular weight of 298.35 g/mol. Its IUPAC name is 4-[imidazol-1-yl(1H-indol-4-yl)methyl]benzonitrile.

Molecular Properties

Compound Name4-[imidazol-1-yl(1H-indol-4-yl)methyl]benzonitrile
PubChem CID44577913
Molecular FormulaC19H14N4
Molecular Weight298.35 g/mol
Exact Mass298.12
IUPAC Name4-[imidazol-1-yl(1H-indol-4-yl)methyl]benzonitrile
SMILESN#Cc1ccc(C(c2cccc3[nH]ccc23)n2ccnc2)cc1
InChIInChI=1S/C19H14N4/c20-12-14-4-6-15(7-5-14)19(23-11-10-21-13-23)17-2-1-3-18-16(17)8-9-22-18/h1-11,13,19,22H
InChIKeyLYPJPGBLFNASKO-UHFFFAOYSA-N
XLogP3.87
TPSA57.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[imidazol-1-yl(1H-indol-4-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-[imidazol-1-yl(1H-indol-4-yl)methyl]benzonitrile?
The IUPAC name of 4-[imidazol-1-yl(1H-indol-4-yl)methyl]benzonitrile (CID 44577913) is 4-[imidazol-1-yl(1H-indol-4-yl)methyl]benzonitrile.
What is the SMILES notation for 4-[imidazol-1-yl(1H-indol-4-yl)methyl]benzonitrile?
The canonical SMILES for 4-[imidazol-1-yl(1H-indol-4-yl)methyl]benzonitrile is N#Cc1ccc(C(c2cccc3[nH]ccc23)n2ccnc2)cc1.
What is the InChIKey of 4-[imidazol-1-yl(1H-indol-4-yl)methyl]benzonitrile?
The InChIKey is LYPJPGBLFNASKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4/c20-12-14-4-6-15(7-5-14)19(23-11-10-21-13-23)17-2-1-3-18-16(17)8-9-22-18/h1-11,13,19,22H.
What are the key properties of 4-[imidazol-1-yl(1H-indol-4-yl)methyl]benzonitrile?
4-[imidazol-1-yl(1H-indol-4-yl)methyl]benzonitrile has a molecular weight of 298.35 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[imidazol-1-yl(1H-indol-4-yl)methyl]benzonitrile is sourced from PubChem (CID 44577913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).