1-benzyl-5-ethoxyimidazolidine-2,4-dione

• ChemBase ID: 89350
• Molecular Formular: C12H14N2O3
• Molecular Mass: 234.25116
• Monoisotopic Mass: 234.10044232
• SMILES: N1C(=O)N(Cc2ccccc2)C(C1=O)OCC
• Canonical SMILES: CCOC1C(=O)NC(=O)N1Cc1ccccc1
• InChI: InChI=1S/C12H14N2O3/c1-2-17-11-10(15)13-12(16)14(11)8-9-6-4-3-5-7-9/h3-7,11H,2,8H2,1H3,(H,13,15,16)
• InChIKey: FUQZCDCFSMSNBP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-5-ethoxyimidazolidine-2,4-dione
• IUPAC Traditional name: 1-benzyl-5-ethoxyimidazolidine-2,4-dione
• Synonyms: 1-Benzyl-5-ethoxyhydantoin; 1-Benzyl-5-ethoxyimidazolidine-2,4-dione; 1-benzyl-5-ethoxy-2,4-imidazolidine dione

Database IDs

• CAS Number: 65855-02-9
• MDL Number: MFCD03838588
• PubChem SID: 162076230
• PubChem CID: 4079622

CALCULATED PROPERTIES

• Acid pKa: 8.547862
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.2087392
• LogD (pH = 7.4): 1.1796278
• Log P: 1.2091235
• Molar Refractivity: 61.2536 cm^3
• Polarizability: 23.787325 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%