(5S)-3-[3-(1H-imidazol-1-yl)propyl]-5-(2-methylpropyl)imidazolidine-2,4-dione

• ChemBase ID: 204495
• Molecular Formular: C13H20N4O2
• Molecular Mass: 264.3235
• Monoisotopic Mass: 264.1586259
• SMILES: N1(C(=O)N[C@H](C1=O)CC(C)C)CCCn1cncc1
• Canonical SMILES: CC(C[C@@H]1NC(=O)N(C1=O)CCCn1ccnc1)C
• InChI: InChI=1S/C13H20N4O2/c1-10(2)8-11-12(18)17(13(19)15-11)6-3-5-16-7-4-14-9-16/h4,7,9-11H,3,5-6,8H2,1-2H3,(H,15,19)/t11-/m0/s1
• InChIKey: JYEBAOFOKIQBJQ-NSHDSACASA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5S)-3-[3-(1H-imidazol-1-yl)propyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
• IUPAC Traditional name: (5S)-3-[3-(imidazol-1-yl)propyl]-5-(2-methylpropyl)imidazolidine-2,4-dione

Database IDs

• PubChem SID: 164260405
• PubChem CID: 7068386

CALCULATED PROPERTIES

• Acid pKa: 11.921613
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.030380435
• LogD (pH = 7.4): 0.4945349
• Log P: 0.5632166
• Molar Refractivity: 70.9162 cm^3
• Polarizability: 27.281672 Å^3
• Polar Surface Area: 67.23 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds