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

• ChemBase ID: 194794
• Molecular Formular: C18H18N2O4
• Molecular Mass: 326.34652
• Monoisotopic Mass: 326.12665707
• SMILES: N1(C(=O)N[C@H](C1=O)Cc1ccccc1)c1cc(c(cc1)OC)OC
• Canonical SMILES: COc1ccc(cc1OC)N1C(=O)N[C@H](C1=O)Cc1ccccc1
• InChI: InChI=1S/C18H18N2O4/c1-23-15-9-8-13(11-16(15)24-2)20-17(21)14(19-18(20)22)10-12-6-4-3-5-7-12/h3-9,11,14H,10H2,1-2H3,(H,19,22)/t14-/m0/s1
• InChIKey: YXSVIMWZQCBNNZ-AWEZNQCLSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164250704
• PubChem CID: 7083145

CALCULATED PROPERTIES

• Acid pKa: 13.269707
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.3411622
• LogD (pH = 7.4): 2.3411615
• Log P: 2.3411622
• Molar Refractivity: 87.7597 cm^3
• Polarizability: 34.008965 Å^3
• Polar Surface Area: 67.87 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds