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

• ChemBase ID: 691871
• Molecular Formular: C20H26N4O
• Molecular Mass: 338.44664
• Monoisotopic Mass: 338.21066147
• SMILES: C12(C(=O)N(CCC2)C)CN(Cc2n(cnc2)Cc2ccccc2)CC1
• Canonical SMILES: CN1CCCC2(C1=O)CCN(C2)Cc1cncn1Cc1ccccc1
• InChI: InChI=1S/C20H26N4O/c1-22-10-5-8-20(19(22)25)9-11-23(15-20)14-18-12-21-16-24(18)13-17-6-3-2-4-7-17/h2-4,6-7,12,16H,5,8-11,13-15H2,1H3
• InChIKey: YWFQWAXTWYNIRC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.4203963
• LogD (pH = 7.4): 0.19668616
• Log P: 1.6162319
• Molar Refractivity: 99.5552 cm^3
• Polarizability: 38.188778 Å^3
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.17
• LOG S: -2.67
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 4