5-(3,4-dichlorophenyl)-5-methylimidazolidine-2,4-dione

• ChemBase ID: 251357
• Molecular Formular: C10H8Cl2N2O2
• Molecular Mass: 259.08872
• Monoisotopic Mass: 257.99628287
• SMILES: N1C(=O)C(NC1=O)(c1cc(c(cc1)Cl)Cl)C
• Canonical SMILES: O=C1NC(=O)C(N1)(C)c1ccc(c(c1)Cl)Cl
• InChI: InChI=1S/C10H8Cl2N2O2/c1-10(8(15)13-9(16)14-10)5-2-3-6(11)7(12)4-5/h2-4H,1H3,(H2,13,14,15,16)
• InChIKey: HCAOEYFITDQZTG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(3,4-dichlorophenyl)-5-methylimidazolidine-2,4-dione
• IUPAC Traditional name: 5-(3,4-dichlorophenyl)-5-methylimidazolidine-2,4-dione
• Synonyms: 5-(3,4-dichlorophenyl)-5-methylimidazolidine-2,4-dione

Database IDs

• MDL Number: MFCD07687083
• PubChem SID: 164307267
• PubChem CID: 3009655

CALCULATED PROPERTIES

• Acid pKa: 8.978298
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.1269214
• LogD (pH = 7.4): 2.1158757
• Log P: 2.1270642
• Molar Refractivity: 59.7269 cm^3
• Polarizability: 23.289488 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 204 - 206°C
• Hydrophobicity(logP): 2.352

Product Information

• Purity: 95%