1-[2-({[1-(4-methoxyphenyl)-1H-imidazol-2-yl]methyl}(methyl)amino)ethyl]piperidin-2-one

• ChemBase ID: 628994
• Molecular Formular: C19H26N4O2
• Molecular Mass: 342.43534
• Monoisotopic Mass: 342.20557609
• SMILES: c1(n(c2ccc(cc2)OC)ccn1)CN(CCN1C(=O)CCCC1)C
• Canonical SMILES: COc1ccc(cc1)n1ccnc1CN(CCN1CCCCC1=O)C
• InChI: InChI=1S/C19H26N4O2/c1-21(13-14-22-11-4-3-5-19(22)24)15-18-20-10-12-23(18)16-6-8-17(25-2)9-7-16/h6-10,12H,3-5,11,13-15H2,1-2H3
• InChIKey: BSCJNTIHNPWPEX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-({[1-(4-methoxyphenyl)-1H-imidazol-2-yl]methyl}(methyl)amino)ethyl]piperidin-2-one
• IUPAC Traditional name: 1-[2-({[1-(4-methoxyphenyl)imidazol-2-yl]methyl}(methyl)amino)ethyl]piperidin-2-one
• Synonyms: 1-{2-[{[1-(4-methoxyphenyl)-1H-imidazol-2-yl]methyl}(methyl)amino]ethyl}piperidin-2-one

CALCULATED PROPERTIES

供应商提供(Chembridge)

• H Donor: 0
• Log P: 2.69
• LOG S: -3.99
• Polar Surface Area: 50.6 Å^2
• Rotatable Bonds: 7
• H Acceptors: 4

JChem

• LogD (pH = 5.5): 0.48794603
• LogD (pH = 7.4): 1.4555266
• Log P: 1.5104127
• Molar Refractivity: 108.1259 cm^3
• Polarizability: 38.506496 Å^3
• Polar Surface Area: 50.6 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0