3-[[4-(4-methyl-2-oxo-5-phenyl-1H-imidazol-3-yl)piperidin-1-yl]methyl]benzonitrile

C23H24N4O — CID 10248715

IUPAC3-[[4-(4-methyl-2-oxo-5-phenyl-1H-imidazol-3-yl)piperidin-1-yl]methyl]benzonitrile
SMILESCc1c(-c2ccccc2)[nH]c(=O)n1C1CCN(Cc2cccc(C#N)c2)CC1
InChIInChI=1S/C23H24N4O/c1-17-22(20-8-3-2-4-9-20)25-23(28)27(17)21-10-12-26(13-11-21)16-19-7-5-6-18(14-19)15-24/h2-9,14,21H,10-13,16H2,1H3,(H,25,28)
InChIKeyJLSSZJJVQVSQHQ-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.86
Rot. Bonds4

About 3-[[4-(4-methyl-2-oxo-5-phenyl-1H-imidazol-3-yl)piperidin-1-yl]methyl]benzonitrile

3-[[4-(4-methyl-2-oxo-5-phenyl-1H-imidazol-3-yl)piperidin-1-yl]methyl]benzonitrile (PubChem CID 10248715) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is 3-[[4-(4-methyl-2-oxo-5-phenyl-1H-imidazol-3-yl)piperidin-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name3-[[4-(4-methyl-2-oxo-5-phenyl-1H-imidazol-3-yl)piperidin-1-yl]methyl]benzonitrile
PubChem CID10248715
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name3-[[4-(4-methyl-2-oxo-5-phenyl-1H-imidazol-3-yl)piperidin-1-yl]methyl]benzonitrile
SMILESCc1c(-c2ccccc2)[nH]c(=O)n1C1CCN(Cc2cccc(C#N)c2)CC1
InChIInChI=1S/C23H24N4O/c1-17-22(20-8-3-2-4-9-20)25-23(28)27(17)21-10-12-26(13-11-21)16-19-7-5-6-18(14-19)15-24/h2-9,14,21H,10-13,16H2,1H3,(H,25,28)
InChIKeyJLSSZJJVQVSQHQ-UHFFFAOYSA-N
XLogP3.86
TPSA64.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[[4-(4-methyl-2-oxo-5-phenyl-1H-imidazol-3-yl)piperidin-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 3-[[4-(4-methyl-2-oxo-5-phenyl-1H-imidazol-3-yl)piperidin-1-yl]methyl]benzonitrile?
The IUPAC name of 3-[[4-(4-methyl-2-oxo-5-phenyl-1H-imidazol-3-yl)piperidin-1-yl]methyl]benzonitrile (CID 10248715) is 3-[[4-(4-methyl-2-oxo-5-phenyl-1H-imidazol-3-yl)piperidin-1-yl]methyl]benzonitrile.
What is the SMILES notation for 3-[[4-(4-methyl-2-oxo-5-phenyl-1H-imidazol-3-yl)piperidin-1-yl]methyl]benzonitrile?
The canonical SMILES for 3-[[4-(4-methyl-2-oxo-5-phenyl-1H-imidazol-3-yl)piperidin-1-yl]methyl]benzonitrile is Cc1c(-c2ccccc2)[nH]c(=O)n1C1CCN(Cc2cccc(C#N)c2)CC1.
What is the InChIKey of 3-[[4-(4-methyl-2-oxo-5-phenyl-1H-imidazol-3-yl)piperidin-1-yl]methyl]benzonitrile?
The InChIKey is JLSSZJJVQVSQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-17-22(20-8-3-2-4-9-20)25-23(28)27(17)21-10-12-26(13-11-21)16-19-7-5-6-18(14-19)15-24/h2-9,14,21H,10-13,16H2,1H3,(H,25,28).
What are the key properties of 3-[[4-(4-methyl-2-oxo-5-phenyl-1H-imidazol-3-yl)piperidin-1-yl]methyl]benzonitrile?
3-[[4-(4-methyl-2-oxo-5-phenyl-1H-imidazol-3-yl)piperidin-1-yl]methyl]benzonitrile has a molecular weight of 372.47 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-methyl-2-oxo-5-phenyl-1H-imidazol-3-yl)piperidin-1-yl]methyl]benzonitrile is sourced from PubChem (CID 10248715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).