4-[(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzonitrile

C24H19N3O2 — CID 3936185

IUPAC4-[(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzonitrile
SMILESN#Cc1ccc(CN2C(=O)NC(Cc3ccccc3)(c3ccccc3)C2=O)cc1
InChIInChI=1S/C24H19N3O2/c25-16-19-11-13-20(14-12-19)17-27-22(28)24(26-23(27)29,21-9-5-2-6-10-21)15-18-7-3-1-4-8-18/h1-14H,15,17H2,(H,26,29)
InChIKeyVCXVYZPXOPGZDM-UHFFFAOYSA-N
MW381.44 g/mol
LogP3.75
Rot. Bonds5

About 4-[(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzonitrile

4-[(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzonitrile (PubChem CID 3936185) has the molecular formula C24H19N3O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is 4-[(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzonitrile.

Molecular Properties

Compound Name4-[(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzonitrile
PubChem CID3936185
Molecular FormulaC24H19N3O2
Molecular Weight381.44 g/mol
Exact Mass381.15
IUPAC Name4-[(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzonitrile
SMILESN#Cc1ccc(CN2C(=O)NC(Cc3ccccc3)(c3ccccc3)C2=O)cc1
InChIInChI=1S/C24H19N3O2/c25-16-19-11-13-20(14-12-19)17-27-22(28)24(26-23(27)29,21-9-5-2-6-10-21)15-18-7-3-1-4-8-18/h1-14H,15,17H2,(H,26,29)
InChIKeyVCXVYZPXOPGZDM-UHFFFAOYSA-N
XLogP3.75
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 4-[(4-benzyl-2,5-dioxo-4-phenylimidazolidin-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

Related Compounds

(5S)-5-benzyl-3-[(4-methylphenyl)methyl]-5-phenylimidazolidine-2,4-dione
CID 7240287
(5S)-5-benzyl-3-[(2,3,4,5,6-pentafluorophenyl)methyl]-5-phenylimidazolidine-2,4-dione
CID 41305462
3-(1-benzyl-4-methyl-2,5-dioxoimidazolidin-4-yl)benzonitrile
CID 47092850
(5S)-5-benzyl-3-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-5-phenylimidazolidine-2,4-dione
CID 9451754
4-[[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]benzonitrile
CID 8672971
(5S)-5-benzyl-3-[(2-nitrophenyl)methyl]-5-phenylimidazolidine-2,4-dione
CID 7637567
4-[(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)methyl]benzonitrile
CID 2398166
(5S)-5-benzyl-3-phenacyl-5-phenylimidazolidine-2,4-dione
CID 7300137
(5R)-5-benzyl-3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-phenylimidazolidine-2,4-dione
CID 41213860
(5S)-5-benzyl-3-[(2-chloroquinolin-3-yl)methyl]-5-phenylimidazolidine-2,4-dione
CID 29405208
(5R)-3-[(4-chlorophenyl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione
CID 2585401
3-benzyl-5-nonyl-5-phenylimidazolidine-2,4-dione
CID 11417958

Frequently Asked Questions

What is the IUPAC name of 4-[(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzonitrile?
The IUPAC name of 4-[(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzonitrile (CID 3936185) is 4-[(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzonitrile.
What is the SMILES notation for 4-[(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzonitrile?
The canonical SMILES for 4-[(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzonitrile is N#Cc1ccc(CN2C(=O)NC(Cc3ccccc3)(c3ccccc3)C2=O)cc1.
What is the InChIKey of 4-[(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzonitrile?
The InChIKey is VCXVYZPXOPGZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O2/c25-16-19-11-13-20(14-12-19)17-27-22(28)24(26-23(27)29,21-9-5-2-6-10-21)15-18-7-3-1-4-8-18/h1-14H,15,17H2,(H,26,29).
What are the key properties of 4-[(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzonitrile?
4-[(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzonitrile has a molecular weight of 381.44 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzonitrile is sourced from PubChem (CID 3936185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).