3-(3,5-dichlorophenyl)-1-methylimidazolidine-2,4-dione

• ChemBase ID: 798577
• Molecular Formular: C10H8Cl2N2O2
• Molecular Mass: 259.08872
• Monoisotopic Mass: 257.99628287
• SMILES: N1(C(=O)N(C(=O)C1)c1cc(cc(c1)Cl)Cl)C
• Canonical SMILES: Clc1cc(Cl)cc(c1)N1C(=O)CN(C1=O)C
• InChI: InChI=1S/C10H8Cl2N2O2/c1-13-5-9(15)14(10(13)16)8-3-6(11)2-7(12)4-8/h2-4H,5H2,1H3
• InChIKey: JFMOAIVHTYQOKA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(3,5-dichlorophenyl)-1-methylimidazolidine-2,4-dione
• IUPAC Traditional name: 3-(3,5-dichlorophenyl)-1-methylimidazolidine-2,4-dione
• Synonyms: 3-(3,5-dichlorophenyl)-1-methyl-2,4-imidazolidinedione

Database IDs

• CAS Number: 27387-90-2

CALCULATED PROPERTIES

• Acid pKa: 10.973239
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.863178
• LogD (pH = 7.4): 1.8630636
• Log P: 1.8631794
• Molar Refractivity: 60.2267 cm^3
• Polarizability: 23.255318 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%