(5S)-5-benzyl-3-(2-hydroxypropyl)imidazolidine-2,4-dione

• ChemBase ID: 204219
• Molecular Formular: C13H16N2O3
• Molecular Mass: 248.27774
• Monoisotopic Mass: 248.11609238
• SMILES: N1(C(=O)N[C@H](C1=O)Cc1ccccc1)CC(O)C
• Canonical SMILES: CC(CN1C(=O)N[C@H](C1=O)Cc1ccccc1)O
• InChI: InChI=1S/C13H16N2O3/c1-9(16)8-15-12(17)11(14-13(15)18)7-10-5-3-2-4-6-10/h2-6,9,11,16H,7-8H2,1H3,(H,14,18)/t9?,11-/m0/s1
• InChIKey: GKTMNTZZQVZCBY-UMJHXOGRSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5S)-5-benzyl-3-(2-hydroxypropyl)imidazolidine-2,4-dione
• IUPAC Traditional name: (5S)-5-benzyl-3-(2-hydroxypropyl)imidazolidine-2,4-dione

Database IDs

• PubChem SID: 164260129
• PubChem CID: 16401087

CALCULATED PROPERTIES

• Acid pKa: 11.823188
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.72501904
• LogD (pH = 7.4): 0.725003
• Log P: 0.7250192
• Molar Refractivity: 65.7668 cm^3
• Polarizability: 25.55226 Å^3
• Polar Surface Area: 69.64 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds