3-amino-5,5-diphenylimidazolidine-2,4-dione

• ChemBase ID: 249279
• Molecular Formular: C15H13N3O2
• Molecular Mass: 267.28262
• Monoisotopic Mass: 267.10077667
• SMILES: C1(=O)N(C(=O)NC1(c1ccccc1)c1ccccc1)N
• Canonical SMILES: NN1C(=O)NC(C1=O)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C15H13N3O2/c16-18-13(19)15(17-14(18)20,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,16H2,(H,17,20)
• InChIKey: WDASILDKNHAVRK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-5,5-diphenylimidazolidine-2,4-dione
• IUPAC Traditional name: 3-amino-5,5-diphenylimidazolidine-2,4-dione
• Synonyms: 3-amino-5,5-diphenylimidazolidine-2,4-dione

Database IDs

• CAS Number: 1224-08-4
• MDL Number: MFCD01723004
• PubChem SID: 164305189
• PubChem CID: 14659

CALCULATED PROPERTIES

• Acid pKa: 10.600912
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.8512874
• LogD (pH = 7.4): 1.8511724
• Log P: 1.8514447
• Molar Refractivity: 74.6664 cm^3
• Polarizability: 28.550716 Å^3
• Polar Surface Area: 75.43 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 189 - 191°C
• Hydrophobicity(logP): 1.243

Product Information

• Purity: 95%