1-methyl-4-{2-[4-phenyl-5-(5-propylfuran-2-yl)-1H-imidazol-1-yl]ethyl}piperazine

• ChemBase ID: 769469
• Molecular Formular: C23H30N4O
• Molecular Mass: 378.5105
• Monoisotopic Mass: 378.2419616
• SMILES: c1(c2oc(cc2)CCC)c(ncn1CCN1CCN(CC1)C)c1ccccc1
• Canonical SMILES: CCCc1ccc(o1)c1n(CCN2CCN(CC2)C)cnc1c1ccccc1
• InChI: InChI=1S/C23H30N4O/c1-3-7-20-10-11-21(28-20)23-22(19-8-5-4-6-9-19)24-18-27(23)17-16-26-14-12-25(2)13-15-26/h4-6,8-11,18H,3,7,12-17H2,1-2H3
• InChIKey: JJAJRBNWHYZGQU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-4-{2-[4-phenyl-5-(5-propylfuran-2-yl)-1H-imidazol-1-yl]ethyl}piperazine
• IUPAC Traditional name: 1-methyl-4-{2-[4-phenyl-5-(5-propylfuran-2-yl)imidazol-1-yl]ethyl}piperazine
• Synonyms: 1-methyl-4-{2-[4-phenyl-5-(5-propyl-2-furyl)-1H-imidazol-1-yl]ethyl}piperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.8694238
• LogD (pH = 7.4): 2.6625483
• Log P: 3.7714171
• Molar Refractivity: 114.4222 cm^3
• Polarizability: 46.59872 Å^3
• Polar Surface Area: 37.44 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 5.23
• LOG S: -5.42
• Polar Surface Area: 37.44 Å^2
• Rotatable Bonds: 7