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

• ChemBase ID: 815975
• Molecular Formular: C10H10N2O3
• Molecular Mass: 206.198
• Monoisotopic Mass: 206.06914219
• SMILES: N1C(=O)NC(=O)C1c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)C1NC(=O)NC1=O
• InChI: InChI=1S/C10H10N2O3/c1-15-7-4-2-6(3-5-7)8-9(13)12-10(14)11-8/h2-5,8H,1H3,(H2,11,12,13,14)
• InChIKey: DXCSOTJUBCFLRJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(4-methoxyphenyl)imidazolidine-2,4-dione
• IUPAC Traditional name: 5-(4-methoxyphenyl)imidazolidine-2,4-dione
• Synonyms: 5-(4-METHOXYPHENYL)IMIDAZOLIDINE-2,4-DIONE

CALCULATED PROPERTIES

• Acid pKa: 8.582652
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.32818288
• LogD (pH = 7.4): 0.30124122
• Log P: 0.32853767
• Molar Refractivity: 51.8672 cm^3
• Polarizability: 20.108644 Å^3
• Polar Surface Area: 67.43 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%