5,5-bis(4-methoxyphenyl)imidazolidine-2,4-dione

• ChemBase ID: 230699
• Molecular Formular: C17H16N2O4
• Molecular Mass: 312.31994
• Monoisotopic Mass: 312.111007
• SMILES: C1(=O)NC(=O)NC1(c1ccc(cc1)OC)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)C1(NC(=O)NC1=O)c1ccc(cc1)OC
• InChI: InChI=1S/C17H16N2O4/c1-22-13-7-3-11(4-8-13)17(15(20)18-16(21)19-17)12-5-9-14(23-2)10-6-12/h3-10H,1-2H3,(H2,18,19,20,21)
• InChIKey: HUULDKVZAIILJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,5-bis(4-methoxyphenyl)imidazolidine-2,4-dione
• IUPAC Traditional name: 5,5-bis(4-methoxyphenyl)imidazolidine-2,4-dione
• Synonyms: 5,5-Bis-(4-methoxy-phenyl)-imidazolidine-2,4-dione

Database IDs

• CAS Number: 2402-44-0
• MDL Number: MFCD03658060
• PubChem SID: 164286609
• PubChem CID: 2339366

CALCULATED PROPERTIES

• Acid pKa: 9.43824
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.8325284
• LogD (pH = 7.4): 1.8286644
• Log P: 1.8325778
• Molar Refractivity: 83.1087 cm^3
• Polarizability: 32.178783 Å^3
• Polar Surface Area: 76.66 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 237 - 239°C
• Hydrophobicity(logP): 1.923

Product Information

• Purity: 95%