4-[[3-[(2-oxo-1-pyridin-2-yl-4-pyridinyl)methyl]imidazol-4-yl]methyl]benzonitrile

C22H17N5O — CID 15895919

IUPAC4-[[3-[(2-oxo-1-pyridin-2-yl-4-pyridinyl)methyl]imidazol-4-yl]methyl]benzonitrile
SMILESN#Cc1ccc(Cc2cncn2Cc2ccn(-c3ccccn3)c(=O)c2)cc1
InChIInChI=1S/C22H17N5O/c23-13-18-6-4-17(5-7-18)11-20-14-24-16-26(20)15-19-8-10-27(22(28)12-19)21-3-1-2-9-25-21/h1-10,12,14,16H,11,15H2
InChIKeyFJUSDQSSZPRNHT-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.94
Rot. Bonds5

About 4-[[3-[(2-oxo-1-pyridin-2-yl-4-pyridinyl)methyl]imidazol-4-yl]methyl]benzonitrile

4-[[3-[(2-oxo-1-pyridin-2-yl-4-pyridinyl)methyl]imidazol-4-yl]methyl]benzonitrile (PubChem CID 15895919) has the molecular formula C22H17N5O and a molecular weight of 367.41 g/mol. Its IUPAC name is 4-[[3-[(2-oxo-1-pyridin-2-yl-4-pyridinyl)methyl]imidazol-4-yl]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[3-[(2-oxo-1-pyridin-2-yl-4-pyridinyl)methyl]imidazol-4-yl]methyl]benzonitrile
PubChem CID15895919
Molecular FormulaC22H17N5O
Molecular Weight367.41 g/mol
Exact Mass367.14
IUPAC Name4-[[3-[(2-oxo-1-pyridin-2-yl-4-pyridinyl)methyl]imidazol-4-yl]methyl]benzonitrile
SMILESN#Cc1ccc(Cc2cncn2Cc2ccn(-c3ccccn3)c(=O)c2)cc1
InChIInChI=1S/C22H17N5O/c23-13-18-6-4-17(5-7-18)11-20-14-24-16-26(20)15-19-8-10-27(22(28)12-19)21-3-1-2-9-25-21/h1-10,12,14,16H,11,15H2
InChIKeyFJUSDQSSZPRNHT-UHFFFAOYSA-N
XLogP2.94
TPSA76.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[[3-[(2-oxo-1-pyridin-2-yl-4-pyridinyl)methyl]imidazol-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-[[3-[(2-oxo-1-pyridin-2-yl-4-pyridinyl)methyl]imidazol-4-yl]methyl]benzonitrile?
The IUPAC name of 4-[[3-[(2-oxo-1-pyridin-2-yl-4-pyridinyl)methyl]imidazol-4-yl]methyl]benzonitrile (CID 15895919) is 4-[[3-[(2-oxo-1-pyridin-2-yl-4-pyridinyl)methyl]imidazol-4-yl]methyl]benzonitrile.
What is the SMILES notation for 4-[[3-[(2-oxo-1-pyridin-2-yl-4-pyridinyl)methyl]imidazol-4-yl]methyl]benzonitrile?
The canonical SMILES for 4-[[3-[(2-oxo-1-pyridin-2-yl-4-pyridinyl)methyl]imidazol-4-yl]methyl]benzonitrile is N#Cc1ccc(Cc2cncn2Cc2ccn(-c3ccccn3)c(=O)c2)cc1.
What is the InChIKey of 4-[[3-[(2-oxo-1-pyridin-2-yl-4-pyridinyl)methyl]imidazol-4-yl]methyl]benzonitrile?
The InChIKey is FJUSDQSSZPRNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O/c23-13-18-6-4-17(5-7-18)11-20-14-24-16-26(20)15-19-8-10-27(22(28)12-19)21-3-1-2-9-25-21/h1-10,12,14,16H,11,15H2.
What are the key properties of 4-[[3-[(2-oxo-1-pyridin-2-yl-4-pyridinyl)methyl]imidazol-4-yl]methyl]benzonitrile?
4-[[3-[(2-oxo-1-pyridin-2-yl-4-pyridinyl)methyl]imidazol-4-yl]methyl]benzonitrile has a molecular weight of 367.41 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[(2-oxo-1-pyridin-2-yl-4-pyridinyl)methyl]imidazol-4-yl]methyl]benzonitrile is sourced from PubChem (CID 15895919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).