5-benzyl-5-[1-(quinoxalin-5-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione

• ChemBase ID: 490398
• Molecular Formular: C24H25N5O2
• Molecular Mass: 415.4876
• Monoisotopic Mass: 415.20082507
• SMILES: N1C(=O)C(NC1=O)(C1CCN(Cc2c3nccnc3ccc2)CC1)Cc1ccccc1
• Canonical SMILES: O=C1NC(=O)C(N1)(Cc1ccccc1)C1CCN(CC1)Cc1cccc2c1nccn2
• InChI: InChI=1S/C24H25N5O2/c30-22-24(28-23(31)27-22,15-17-5-2-1-3-6-17)19-9-13-29(14-10-19)16-18-7-4-8-20-21(18)26-12-11-25-20/h1-8,11-12,19H,9-10,13-16H2,(H2,27,28,30,31)
• InChIKey: FLZPWPMBODNBOH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-benzyl-5-[1-(quinoxalin-5-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione
• IUPAC Traditional name: 5-benzyl-5-[1-(quinoxalin-5-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione
• Synonyms: 5-benzyl-5-[1-(5-quinoxalinylmethyl)-4-piperidinyl]-2,4-imidazolidinedione

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.20069
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.64831996
• LogD (pH = 7.4): 1.0506697
• Log P: 2.1687062
• Molar Refractivity: 116.3978 cm^3
• Polarizability: 46.552635 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: 1.75
• LOG S: -3.6
• Polar Surface Area: 87.22 Å^2
• Rotatable Bonds: 5