1-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione

• ChemBase ID: 251253
• Molecular Formular: C10H9ClN2O2
• Molecular Mass: 224.64366
• Monoisotopic Mass: 224.03525522
• SMILES: C1(=O)NC(=O)C(N1c1ccc(cc1)Cl)C
• Canonical SMILES: CC1C(=O)NC(=O)N1c1ccc(cc1)Cl
• InChI: InChI=1S/C10H9ClN2O2/c1-6-9(14)12-10(15)13(6)8-4-2-7(11)3-5-8/h2-6H,1H3,(H,12,14,15)
• InChIKey: YRTFBBSKIRZNAW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
• IUPAC Traditional name: 1-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
• Synonyms: 1-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione

Database IDs

• MDL Number: MFCD06680124
• PubChem SID: 164307163
• PubChem CID: 4784743

CALCULATED PROPERTIES

• Acid pKa: 9.078458
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.6041096
• LogD (pH = 7.4): 1.595315
• Log P: 1.604223
• Molar Refractivity: 55.0191 cm^3
• Polarizability: 21.304625 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.066

Product Information

• Purity: 95%