3-(1-benzyl-4-methyl-2,5-dioxoimidazolidin-4-yl)benzonitrile

C18H15N3O2 — CID 47092850

IUPAC3-(1-benzyl-4-methyl-2,5-dioxoimidazolidin-4-yl)benzonitrile
SMILESCC1(c2cccc(C#N)c2)NC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C18H15N3O2/c1-18(15-9-5-8-14(10-15)11-19)16(22)21(17(23)20-18)12-13-6-3-2-4-7-13/h2-10H,12H2,1H3,(H,20,23)
InChIKeyFUMDALRAYJPGFL-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.53
Rot. Bonds3

About 3-(1-benzyl-4-methyl-2,5-dioxoimidazolidin-4-yl)benzonitrile

3-(1-benzyl-4-methyl-2,5-dioxoimidazolidin-4-yl)benzonitrile (PubChem CID 47092850) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 3-(1-benzyl-4-methyl-2,5-dioxoimidazolidin-4-yl)benzonitrile.

Molecular Properties

Compound Name3-(1-benzyl-4-methyl-2,5-dioxoimidazolidin-4-yl)benzonitrile
PubChem CID47092850
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name3-(1-benzyl-4-methyl-2,5-dioxoimidazolidin-4-yl)benzonitrile
SMILESCC1(c2cccc(C#N)c2)NC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C18H15N3O2/c1-18(15-9-5-8-14(10-15)11-19)16(22)21(17(23)20-18)12-13-6-3-2-4-7-13/h2-10H,12H2,1H3,(H,20,23)
InChIKeyFUMDALRAYJPGFL-UHFFFAOYSA-N
XLogP2.53
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(1-benzyl-4-methyl-2,5-dioxoimidazolidin-4-yl)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

3-[1-[(3-fluorophenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile
CID 51106033
2-[[(4R)-4-(3-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
CID 94799539
methyl 4-[[4-(3-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzoate
CID 47092890
4-[[(4R)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
CID 6591353
4-[[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
CID 2117374
(5S)-3-benzyl-5-(3-bromophenyl)-5-methylimidazolidine-2,4-dione
CID 7178046
3-benzyl-5-(3-bromophenyl)-5-methylimidazolidine-2,4-dione
CID 4804422
4-[1-[(3-chlorophenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile
CID 42964355
3-[(4S)-1-(2-bromoprop-2-enyl)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile
CID 95339475
2-[4-(3-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-phenylacetamide
CID 47092853
(5S)-5-methyl-3-[(3-methylphenyl)methyl]-5-phenylimidazolidine-2,4-dione
CID 7177858
3-[1-[2-(4-chlorophenoxy)ethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile
CID 60617429

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzyl-4-methyl-2,5-dioxoimidazolidin-4-yl)benzonitrile?
The IUPAC name of 3-(1-benzyl-4-methyl-2,5-dioxoimidazolidin-4-yl)benzonitrile (CID 47092850) is 3-(1-benzyl-4-methyl-2,5-dioxoimidazolidin-4-yl)benzonitrile.
What is the SMILES notation for 3-(1-benzyl-4-methyl-2,5-dioxoimidazolidin-4-yl)benzonitrile?
The canonical SMILES for 3-(1-benzyl-4-methyl-2,5-dioxoimidazolidin-4-yl)benzonitrile is CC1(c2cccc(C#N)c2)NC(=O)N(Cc2ccccc2)C1=O.
What is the InChIKey of 3-(1-benzyl-4-methyl-2,5-dioxoimidazolidin-4-yl)benzonitrile?
The InChIKey is FUMDALRAYJPGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c1-18(15-9-5-8-14(10-15)11-19)16(22)21(17(23)20-18)12-13-6-3-2-4-7-13/h2-10H,12H2,1H3,(H,20,23).
What are the key properties of 3-(1-benzyl-4-methyl-2,5-dioxoimidazolidin-4-yl)benzonitrile?
3-(1-benzyl-4-methyl-2,5-dioxoimidazolidin-4-yl)benzonitrile has a molecular weight of 305.34 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzyl-4-methyl-2,5-dioxoimidazolidin-4-yl)benzonitrile is sourced from PubChem (CID 47092850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).