3-[2-hydroxy-3-(4-propanoylphenoxy)propyl]-5,5-diphenylimidazolidine-2,4-dione

C27H26N2O5 — CID 55410388

IUPAC3-[2-hydroxy-3-(4-propanoylphenoxy)propyl]-5,5-diphenylimidazolidine-2,4-dione
SMILESCCC(=O)c1ccc(OCC(O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)cc1
InChIInChI=1S/C27H26N2O5/c1-2-24(31)19-13-15-23(16-14-19)34-18-22(30)17-29-25(32)27(28-26(29)33,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,22,30H,2,17-18H2,1H3,(H,28,33)
InChIKeyXOJHCANKSOZRIZ-UHFFFAOYSA-N
MW458.51 g/mol
LogP3.51
Rot. Bonds9

About 3-[2-hydroxy-3-(4-propanoylphenoxy)propyl]-5,5-diphenylimidazolidine-2,4-dione

3-[2-hydroxy-3-(4-propanoylphenoxy)propyl]-5,5-diphenylimidazolidine-2,4-dione (PubChem CID 55410388) has the molecular formula C27H26N2O5 and a molecular weight of 458.51 g/mol. Its IUPAC name is 3-[2-hydroxy-3-(4-propanoylphenoxy)propyl]-5,5-diphenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-hydroxy-3-(4-propanoylphenoxy)propyl]-5,5-diphenylimidazolidine-2,4-dione
PubChem CID55410388
Molecular FormulaC27H26N2O5
Molecular Weight458.51 g/mol
Exact Mass458.18
IUPAC Name3-[2-hydroxy-3-(4-propanoylphenoxy)propyl]-5,5-diphenylimidazolidine-2,4-dione
SMILESCCC(=O)c1ccc(OCC(O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)cc1
InChIInChI=1S/C27H26N2O5/c1-2-24(31)19-13-15-23(16-14-19)34-18-22(30)17-29-25(32)27(28-26(29)33,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,22,30H,2,17-18H2,1H3,(H,28,33)
InChIKeyXOJHCANKSOZRIZ-UHFFFAOYSA-N
XLogP3.51
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.51
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[2-hydroxy-3-(4-propanoylphenoxy)propyl]-5,5-diphenylimidazolidine-2,4-dione 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-[2-hydroxy-3-(3-methylphenoxy)propyl]-5,5-diphenylimidazolidine-2,4-dione
CID 85456346
ethyl 4-[3-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)-2-hydroxypropoxy]benzoate
CID 24562492
(5R)-5-(2,4-dichlorophenyl)-3-[(2R)-2-hydroxy-3-(4-propanoylphenoxy)propyl]-5-methylimidazolidine-2,4-dione
CID 26715930
3-[(2S)-3-(4-acetylphenoxy)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
CID 26011422
(5R)-3-[(2R)-2-hydroxy-3-phenoxypropyl]-5-methyl-5-propylimidazolidine-2,4-dione
CID 94389630
(5S)-3-[(2S)-2-hydroxy-3-phenoxypropyl]-5-methyl-5-propan-2-ylimidazolidine-2,4-dione
CID 94389915
3-[(2R)-2-hydroxy-3-phenoxypropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 92794477
methyl 4-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropoxy]benzoate
CID 18125644
1-[4-[(2R)-2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]propan-1-one
CID 7060493
3-(2-oxobutyl)-5,5-diphenylimidazolidine-2,4-dione
CID 51108463
5-hexyl-3-(2-hydroxy-3-phenoxypropyl)-5-methylimidazolidine-2,4-dione
CID 18275453
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[2-(4-ethoxyphenoxy)ethyl]acetamide
CID 27926091

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxy-3-(4-propanoylphenoxy)propyl]-5,5-diphenylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-hydroxy-3-(4-propanoylphenoxy)propyl]-5,5-diphenylimidazolidine-2,4-dione (CID 55410388) is 3-[2-hydroxy-3-(4-propanoylphenoxy)propyl]-5,5-diphenylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-hydroxy-3-(4-propanoylphenoxy)propyl]-5,5-diphenylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-hydroxy-3-(4-propanoylphenoxy)propyl]-5,5-diphenylimidazolidine-2,4-dione is CCC(=O)c1ccc(OCC(O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)cc1.
What is the InChIKey of 3-[2-hydroxy-3-(4-propanoylphenoxy)propyl]-5,5-diphenylimidazolidine-2,4-dione?
The InChIKey is XOJHCANKSOZRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O5/c1-2-24(31)19-13-15-23(16-14-19)34-18-22(30)17-29-25(32)27(28-26(29)33,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,22,30H,2,17-18H2,1H3,(H,28,33).
What are the key properties of 3-[2-hydroxy-3-(4-propanoylphenoxy)propyl]-5,5-diphenylimidazolidine-2,4-dione?
3-[2-hydroxy-3-(4-propanoylphenoxy)propyl]-5,5-diphenylimidazolidine-2,4-dione has a molecular weight of 458.51 g/mol, XLogP of 3.51, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxy-3-(4-propanoylphenoxy)propyl]-5,5-diphenylimidazolidine-2,4-dione is sourced from PubChem (CID 55410388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).