5-benzyl-5-(piperidin-4-yl)-3-(pyridin-3-ylmethyl)imidazolidine-2,4-dione

• ChemBase ID: 569262
• Molecular Formular: C21H24N4O2
• Molecular Mass: 364.44086
• Monoisotopic Mass: 364.18992603
• SMILES: N1(C(=O)NC(C1=O)(Cc1ccccc1)C1CCNCC1)Cc1cnccc1
• Canonical SMILES: O=C1NC(C(=O)N1Cc1cccnc1)(Cc1ccccc1)C1CCNCC1
• InChI: InChI=1S/C21H24N4O2/c26-19-21(18-8-11-22-12-9-18,13-16-5-2-1-3-6-16)24-20(27)25(19)15-17-7-4-10-23-14-17/h1-7,10,14,18,22H,8-9,11-13,15H2,(H,24,27)
• InChIKey: IMKIVUMGHPWVQF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-benzyl-5-(piperidin-4-yl)-3-(pyridin-3-ylmethyl)imidazolidine-2,4-dione
• IUPAC Traditional name: 5-benzyl-5-(piperidin-4-yl)-3-(pyridin-3-ylmethyl)imidazolidine-2,4-dione
• Synonyms: 5-benzyl-5-piperidin-4-yl-3-(pyridin-3-ylmethyl)imidazolidine-2,4-dione

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.381003
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.6071818
• LogD (pH = 7.4): -0.8664293
• Log P: 1.4715065
• Molar Refractivity: 102.4505 cm^3
• Polarizability: 39.92092 Å^3
• Polar Surface Area: 74.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.89
• LOG S: -2.17
• Polar Surface Area: 74.33 Å^2
• Rotatable Bonds: 5