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

• ChemBase ID: 757690
• Molecular Formular: C19H30N4O
• Molecular Mass: 330.4677
• Monoisotopic Mass: 330.2419616
• SMILES: C12(C(=O)N(CCC2)C)CN(Cc2n(cnc2)C2CCCCC2)CC1
• Canonical SMILES: CN1CCCC2(C1=O)CCN(C2)Cc1cncn1C1CCCCC1
• InChI: InChI=1S/C19H30N4O/c1-21-10-5-8-19(18(21)24)9-11-22(14-19)13-17-12-20-15-23(17)16-6-3-2-4-7-16/h12,15-16H,2-11,13-14H2,1H3
• InChIKey: NABNMHDOFOMLLD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(1-cyclohexyl-1H-imidazol-5-yl)methyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 2-[(3-cyclohexylimidazol-4-yl)methyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 2-[(1-cyclohexyl-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): -1.3588914
• LogD (pH = 7.4): 0.26729298
• Log P: 1.6910293
• Molar Refractivity: 95.9568 cm^3
• Polarizability: 37.07129 Å^3
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.51
• LOG S: -2.9
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 3