(3-{5-[(E)-2-(4-fluorophenyl)ethenyl]-4-phenyl-1H-imidazol-1-yl}propyl)(methyl)amine

• ChemBase ID: 834279
• Molecular Formular: C21H22FN3
• Molecular Mass: 335.4178832
• Monoisotopic Mass: 335.17977594
• SMILES: n1c(c(n(c1)CCCNC)/C=C/c1ccc(F)cc1)c1ccccc1
• Canonical SMILES: CNCCCn1cnc(c1/C=C/c1ccc(cc1)F)c1ccccc1
• InChI: InChI=1S/C21H22FN3/c1-23-14-5-15-25-16-24-21(18-6-3-2-4-7-18)20(25)13-10-17-8-11-19(22)12-9-17/h2-4,6-13,16,23H,5,14-15H2,1H3/b13-10+
• InChIKey: ZQKGAZKDRGJDFX-JLHYYAGUSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-{5-[(E)-2-(4-fluorophenyl)ethenyl]-4-phenyl-1H-imidazol-1-yl}propyl)(methyl)amine
• IUPAC Traditional name: (3-{5-[(E)-2-(4-fluorophenyl)ethenyl]-4-phenylimidazol-1-yl}propyl)(methyl)amine
• Synonyms: (3-{5-[(E)-2-(4-fluorophenyl)vinyl]-4-phenyl-1H-imidazol-1-yl}propyl)methylamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.65792155
• LogD (pH = 7.4): 1.4128523
• Log P: 4.209628
• Molar Refractivity: 101.8122 cm^3
• Polarizability: 39.79162 Å^3
• Polar Surface Area: 29.85 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 4.32
• LOG S: -4.33
• Polar Surface Area: 29.85 Å^2
• Rotatable Bonds: 7