1-[1-(5-butyl-4-phenyl-1H-imidazol-1-yl)butan-2-yl]-4-methylpiperazine

• ChemBase ID: 599980
• Molecular Formular: C22H34N4
• Molecular Mass: 354.53216
• Monoisotopic Mass: 354.27834711
• SMILES: n1(c(c(nc1)c1ccccc1)CCCC)CC(N1CCN(CC1)C)CC
• Canonical SMILES: CCCCc1n(cnc1c1ccccc1)CC(N1CCN(CC1)C)CC
• InChI: InChI=1S/C22H34N4/c1-4-6-12-21-22(19-10-8-7-9-11-19)23-18-26(21)17-20(5-2)25-15-13-24(3)14-16-25/h7-11,18,20H,4-6,12-17H2,1-3H3
• InChIKey: MUWAZOHUOXUYTK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[1-(5-butyl-4-phenyl-1H-imidazol-1-yl)butan-2-yl]-4-methylpiperazine
• IUPAC Traditional name: 1-[1-(5-butyl-4-phenylimidazol-1-yl)butan-2-yl]-4-methylpiperazine
• Synonyms: 1-{1-[(5-butyl-4-phenyl-1H-imidazol-1-yl)methyl]propyl}-4-methylpiperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.96217823
• LogD (pH = 7.4): 3.0001957
• Log P: 4.5276103
• Molar Refractivity: 110.5614 cm^3
• Polarizability: 44.29881 Å^3
• Polar Surface Area: 24.3 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.52
• LOG S: -3.78
• Polar Surface Area: 24.3 Å^2
• Rotatable Bonds: 8