(5S)-5-benzyl-3-[3-(dimethylamino)propyl]imidazolidine-2,4-dione

• ChemBase ID: 204800
• Molecular Formular: C15H21N3O2
• Molecular Mass: 275.34614
• Monoisotopic Mass: 275.16337693
• SMILES: N1(C(=O)N[C@H](C1=O)Cc1ccccc1)CCCN(C)C
• Canonical SMILES: CN(CCCN1C(=O)N[C@H](C1=O)Cc1ccccc1)C
• InChI: InChI=1S/C15H21N3O2/c1-17(2)9-6-10-18-14(19)13(16-15(18)20)11-12-7-4-3-5-8-12/h3-5,7-8,13H,6,9-11H2,1-2H3,(H,16,20)/t13-/m0/s1
• InChIKey: YDWXKRCTOVMVAJ-ZDUSSCGKSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5S)-5-benzyl-3-[3-(dimethylamino)propyl]imidazolidine-2,4-dione
• IUPAC Traditional name: (5S)-5-benzyl-3-[3-(dimethylamino)propyl]imidazolidine-2,4-dione

Database IDs

• PubChem SID: 164260710
• PubChem CID: 6351957

CALCULATED PROPERTIES

• Polarizability: 30.116571 Å^3
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• Acid pKa: 12.095257
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.2463396
• LogD (pH = 7.4): -0.81448054
• Log P: 1.0771505
• Molar Refractivity: 77.9402 cm^3

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds