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

• ChemBase ID: 453316
• Molecular Formular: C20H23N5O2
• Molecular Mass: 365.42892
• Monoisotopic Mass: 365.185175
• SMILES: N1(C(=O)NC(C1=O)(Cc1ccccc1)C1CCNCC1)Cc1nccnc1
• Canonical SMILES: O=C1NC(C(=O)N1Cc1cnccn1)(Cc1ccccc1)C1CCNCC1
• InChI: InChI=1S/C20H23N5O2/c26-18-20(16-6-8-21-9-7-16,12-15-4-2-1-3-5-15)24-19(27)25(18)14-17-13-22-10-11-23-17/h1-5,10-11,13,16,21H,6-9,12,14H2,(H,24,27)
• InChIKey: JTTFTKCSFJODGL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.156678
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -2.6716433
• LogD (pH = 7.4): -2.0015106
• Log P: 0.24037924
• Molar Refractivity: 99.7714 cm^3
• Polarizability: 39.034393 Å^3
• Polar Surface Area: 87.22 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 0.89
• LOG S: -2.62
• Polar Surface Area: 87.22 Å^2
• Rotatable Bonds: 5