2-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]benzonitrile

C19H17N3O2 — CID 71899736

IUPAC2-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]benzonitrile
SMILESCC1(C)NC(=O)N(Cc2ccc(-c3ccccc3C#N)cc2)C1=O
InChIInChI=1S/C19H17N3O2/c1-19(2)17(23)22(18(24)21-19)12-13-7-9-14(10-8-13)16-6-4-3-5-15(16)11-20/h3-10H,12H2,1-2H3,(H,21,24)
InChIKeyZKOJUMTYSLMBJZ-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.06
Rot. Bonds3

About 2-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]benzonitrile

2-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]benzonitrile (PubChem CID 71899736) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 2-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]benzonitrile.

Molecular Properties

Compound Name2-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]benzonitrile
PubChem CID71899736
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name2-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]benzonitrile
SMILESCC1(C)NC(=O)N(Cc2ccc(-c3ccccc3C#N)cc2)C1=O
InChIInChI=1S/C19H17N3O2/c1-19(2)17(23)22(18(24)21-19)12-13-7-9-14(10-8-13)16-6-4-3-5-15(16)11-20/h3-10H,12H2,1-2H3,(H,21,24)
InChIKeyZKOJUMTYSLMBJZ-UHFFFAOYSA-N
XLogP3.06
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]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

2-[4-[[(4S)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]phenyl]benzonitrile
CID 30292753
2-[4-[(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)methyl]phenyl]benzonitrile
CID 55512352
2-[4-[(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)methyl]phenyl]benzonitrile
CID 51333113
3-[(4-aminophenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione
CID 5200341
2-[[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]hydrazinylidene]propanedinitrile
CID 169339198
2-[4-[(2-ethyl-6-oxo-1-pyridinyl)methyl]phenyl]benzonitrile
CID 19012285
[4-(2-cyanophenyl)phenyl]methyl 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanoate
CID 31146910
3-[(3-chlorophenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione
CID 30551380
[4-(2-cyanophenyl)phenyl]methylazanium
CID 34364496
2-[4-[(4-amino-2-methylimidazol-1-yl)methyl]phenyl]benzonitrile
CID 90855660
2-[4-[(2-butyl-4-hydroxy-5-iodo-2-methyl-1H-imidazol-3-yl)methyl]phenyl]benzonitrile
CID 70397706
3-[(4-phenylphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 4825856

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]benzonitrile?
The IUPAC name of 2-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]benzonitrile (CID 71899736) is 2-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]benzonitrile.
What is the SMILES notation for 2-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]benzonitrile?
The canonical SMILES for 2-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]benzonitrile is CC1(C)NC(=O)N(Cc2ccc(-c3ccccc3C#N)cc2)C1=O.
What is the InChIKey of 2-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]benzonitrile?
The InChIKey is ZKOJUMTYSLMBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-19(2)17(23)22(18(24)21-19)12-13-7-9-14(10-8-13)16-6-4-3-5-15(16)11-20/h3-10H,12H2,1-2H3,(H,21,24).
What are the key properties of 2-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]benzonitrile?
2-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]benzonitrile has a molecular weight of 319.36 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]benzonitrile is sourced from PubChem (CID 71899736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).