1-[2-(4-methoxyphenyl)ethyl]imidazolidine-2,4,5-trione

• ChemBase ID: 267798
• Molecular Formular: C12H12N2O4
• Molecular Mass: 248.23468
• Monoisotopic Mass: 248.07970687
• SMILES: N1(C(=O)NC(=O)C1=O)CCc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)CCN1C(=O)NC(=O)C1=O
• InChI: InChI=1S/C12H12N2O4/c1-18-9-4-2-8(3-5-9)6-7-14-11(16)10(15)13-12(14)17/h2-5H,6-7H2,1H3,(H,13,15,17)
• InChIKey: UOEUPJAWIJGIRE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(4-methoxyphenyl)ethyl]imidazolidine-2,4,5-trione
• IUPAC Traditional name: 1-[2-(4-methoxyphenyl)ethyl]imidazolidine-2,4,5-trione
• Synonyms: 1-[2-(4-methoxyphenyl)ethyl]imidazolidine-2,4,5-trione

Database IDs

• MDL Number: MFCD11544035
• PubChem SID: 164323708
• PubChem CID: 43153841

CALCULATED PROPERTIES

• Acid pKa: 7.3357363
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.86924046
• LogD (pH = 7.4): 0.5468171
• Log P: 0.87546176
• Molar Refractivity: 62.1531 cm^3
• Polarizability: 23.89791 Å^3
• Polar Surface Area: 75.71 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 179 - 181°C
• Hydrophobicity(logP): 1.442

Product Information

• Purity: 95%