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

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Related Compounds

1-(1-Benzyl-piperidin-4-yl)-5-methyl-4-phenyl-1,3-dihydro-imidazol-2-one
CID 9950165
5-Methyl-1-(1-phenethyl-piperidin-4-yl)-4-phenyl-1,3-dihydro-imidazol-2-one
CID 10522613
1-(1-Benzyl-piperidin-4-yl)-3,5-dimethyl-4-phenyl-1,3-dihydro-imidazol-2-one
CID 10594764
1-(1-Benzyl-piperidin-4-yl)-3-methyl-4-phenyl-1,3-dihydro-imidazol-2-one
CID 10783874
1-(1-Benzyl-piperidin-4-yl)-5-ethyl-4-phenyl-1,3-dihydro-imidazol-2-one
CID 10522614
5-Methyl-1-[1-(3-methyl-benzyl)-piperidin-4-yl]-4-phenyl-1,3-dihydro-imidazol-2-one
CID 10546540
1-Methyl-1-(1-methylpiperidin-4-yl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
CID 808435
3-(1-Benzyl-4-piperidyl)-5-methyl-4-phenyl-1H-imidazol-2-one
CID 10569690
1-(1-Benzyl-piperidin-4-yl)-4-phenyl-1,3-dihydro-imidazol-2-one
CID 10735405
1-(1-Cyclohexylmethyl-piperidin-4-yl)-5-methyl-4-phenyl-1,3-dihydro-imidazol-2-one
CID 10570080
1-(1-Benzyl-piperidin-4-yl)-5-methyl-4-p-tolyl-1,3-dihydro-imidazol-2-one
CID 10666315
5-Methyl-4-phenyl-1-[1-(3-phenyl-propyl)-piperidin-4-yl]-1,3-dihydro-imidazol-2-one
CID 10667201

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).