4-[2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)ethoxy]benzonitrile

C22H23N3O3 — CID 55326801

IUPAC4-[2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)ethoxy]benzonitrile
SMILESCCCCC1(c2ccccc2)NC(=O)N(CCOc2ccc(C#N)cc2)C1=O
InChIInChI=1S/C22H23N3O3/c1-2-3-13-22(18-7-5-4-6-8-18)20(26)25(21(27)24-22)14-15-28-19-11-9-17(16-23)10-12-19/h4-12H,2-3,13-15H2,1H3,(H,24,27)
InChIKeyQUGSFUILUHZTHU-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.57
Rot. Bonds8

About 4-[2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)ethoxy]benzonitrile

4-[2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)ethoxy]benzonitrile (PubChem CID 55326801) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 4-[2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)ethoxy]benzonitrile.

Molecular Properties

Compound Name4-[2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)ethoxy]benzonitrile
PubChem CID55326801
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name4-[2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)ethoxy]benzonitrile
SMILESCCCCC1(c2ccccc2)NC(=O)N(CCOc2ccc(C#N)cc2)C1=O
InChIInChI=1S/C22H23N3O3/c1-2-3-13-22(18-7-5-4-6-8-18)20(26)25(21(27)24-22)14-15-28-19-11-9-17(16-23)10-12-19/h4-12H,2-3,13-15H2,1H3,(H,24,27)
InChIKeyQUGSFUILUHZTHU-UHFFFAOYSA-N
XLogP3.57
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)ethoxy]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

4-[2-[4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]ethoxy]benzonitrile
CID 42976471
(5S)-5-butyl-5-(4-fluorophenyl)-3-(2-phenoxyethyl)imidazolidine-2,4-dione
CID 7620277
5-ethyl-3-[2-(4-fluorophenoxy)ethyl]-5-phenylimidazolidine-2,4-dione
CID 4963392
(4-cyanophenyl) 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate
CID 16548597
4-[2-[4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]ethoxy]benzonitrile
CID 46815424
(5R)-5-benzyl-3-[2-(4-fluorophenoxy)ethyl]-5-phenylimidazolidine-2,4-dione
CID 7240283
3-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]propanenitrile
CID 95264677
2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetonitrile
CID 2585411
4-[2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]ethoxy]benzonitrile
CID 46641129
2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 8521760
3-[1-[2-(4-chlorophenoxy)ethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile
CID 60617429
4-[2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]ethoxy]benzonitrile
CID 51447055

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)ethoxy]benzonitrile?
The IUPAC name of 4-[2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)ethoxy]benzonitrile (CID 55326801) is 4-[2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)ethoxy]benzonitrile.
What is the SMILES notation for 4-[2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)ethoxy]benzonitrile?
The canonical SMILES for 4-[2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)ethoxy]benzonitrile is CCCCC1(c2ccccc2)NC(=O)N(CCOc2ccc(C#N)cc2)C1=O.
What is the InChIKey of 4-[2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)ethoxy]benzonitrile?
The InChIKey is QUGSFUILUHZTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-2-3-13-22(18-7-5-4-6-8-18)20(26)25(21(27)24-22)14-15-28-19-11-9-17(16-23)10-12-19/h4-12H,2-3,13-15H2,1H3,(H,24,27).
What are the key properties of 4-[2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)ethoxy]benzonitrile?
4-[2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)ethoxy]benzonitrile has a molecular weight of 377.44 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)ethoxy]benzonitrile is sourced from PubChem (CID 55326801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).