1-{[1-(4-methoxyphenyl)-1H-imidazol-2-yl]methyl}-4-(pyrrolidine-1-carbonyl)piperidine

• ChemBase ID: 337278
• Molecular Formular: C21H28N4O2
• Molecular Mass: 368.47262
• Monoisotopic Mass: 368.22122616
• SMILES: c1(n(c2ccc(cc2)OC)ccn1)CN1CCC(C(=O)N2CCCC2)CC1
• Canonical SMILES: COc1ccc(cc1)n1ccnc1CN1CCC(CC1)C(=O)N1CCCC1
• InChI: InChI=1S/C21H28N4O2/c1-27-19-6-4-18(5-7-19)25-15-10-22-20(25)16-23-13-8-17(9-14-23)21(26)24-11-2-3-12-24/h4-7,10,15,17H,2-3,8-9,11-14,16H2,1H3
• InChIKey: OHFQZSWAGFTBDC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{[1-(4-methoxyphenyl)-1H-imidazol-2-yl]methyl}-4-(pyrrolidine-1-carbonyl)piperidine
• IUPAC Traditional name: 1-{[1-(4-methoxyphenyl)imidazol-2-yl]methyl}-4-(pyrrolidine-1-carbonyl)piperidine
• Synonyms: 1-{[1-(4-methoxyphenyl)-1H-imidazol-2-yl]methyl}-4-(pyrrolidin-1-ylcarbonyl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.08412251
• LogD (pH = 7.4): 1.5111258
• Log P: 1.7126199
• Molar Refractivity: 115.8778 cm^3
• Polarizability: 41.46149 Å^3
• Polar Surface Area: 50.6 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.05
• LOG S: -2.78
• Polar Surface Area: 50.6 Å^2
• Rotatable Bonds: 5