2-[(1-benzyl-1H-imidazol-5-yl)methyl]-7-(propan-2-yl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 677182
• Molecular Formular: C22H30N4O
• Molecular Mass: 366.4998
• Monoisotopic Mass: 366.2419616
• SMILES: C1(=O)C2(CN(Cc3n(cnc3)Cc3ccccc3)CC2)CCCN1C(C)C
• Canonical SMILES: CC(N1CCCC2(C1=O)CCN(C2)Cc1cncn1Cc1ccccc1)C
• InChI: InChI=1S/C22H30N4O/c1-18(2)26-11-6-9-22(21(26)27)10-12-24(16-22)15-20-13-23-17-25(20)14-19-7-4-3-5-8-19/h3-5,7-8,13,17-18H,6,9-12,14-16H2,1-2H3
• InChIKey: AEYDYBZLDKKTHO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(1-benzyl-1H-imidazol-5-yl)methyl]-7-(propan-2-yl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 2-[(3-benzylimidazol-4-yl)methyl]-7-isopropyl-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 2-[(1-benzyl-1H-imidazol-5-yl)methyl]-7-isopropyl-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.5780101
• LogD (pH = 7.4): 1.0666826
• Log P: 2.3896148
• Molar Refractivity: 108.7226 cm^3
• Polarizability: 41.875465 Å^3
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.05
• LOG S: -3.62
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 5