3-cyclohexyl-5-phenylimidazolidine-2,4-dione

• ChemBase ID: 241017
• Molecular Formular: C15H18N2O2
• Molecular Mass: 258.31562
• Monoisotopic Mass: 258.13682783
• SMILES: N1(C(=O)NC(C1=O)c1ccccc1)C1CCCCC1
• Canonical SMILES: O=C1N(C2CCCCC2)C(=O)NC1c1ccccc1
• InChI: InChI=1S/C15H18N2O2/c18-14-13(11-7-3-1-4-8-11)16-15(19)17(14)12-9-5-2-6-10-12/h1,3-4,7-8,12-13H,2,5-6,9-10H2,(H,16,19)
• InChIKey: AOGPQTFYBXFLRO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-cyclohexyl-5-phenylimidazolidine-2,4-dione
• IUPAC Traditional name: 3-cyclohexyl-5-phenylimidazolidine-2,4-dione
• Synonyms: 3-cyclohexyl-5-phenylimidazolidine-2,4-dione

Database IDs

• MDL Number: MFCD12481672
• PubChem SID: 164296927
• PubChem CID: 43558153

CALCULATED PROPERTIES

• Acid pKa: 11.40726
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.509155
• LogD (pH = 7.4): 2.5091133
• Log P: 2.5091555
• Molar Refractivity: 71.3149 cm^3
• Polarizability: 27.859205 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.894

Product Information

• Purity: 95%