methyl(4-{5-[(2E)-pent-2-en-3-yl]-4-phenyl-1H-imidazol-1-yl}butyl)amine

• ChemBase ID: 609411
• Molecular Formular: C19H27N3
• Molecular Mass: 297.43778
• Monoisotopic Mass: 297.22049788
• SMILES: n1c(c(n(c1)CCCCNC)/C(=C/C)/CC)c1ccccc1
• Canonical SMILES: CNCCCCn1cnc(c1/C(=C/C)/CC)c1ccccc1
• InChI: InChI=1S/C19H27N3/c1-4-16(5-2)19-18(17-11-7-6-8-12-17)21-15-22(19)14-10-9-13-20-3/h4,6-8,11-12,15,20H,5,9-10,13-14H2,1-3H3/b16-4+
• InChIKey: NYUUKLXRMWGOKO-AYSLTRBKSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl(4-{5-[(2E)-pent-2-en-3-yl]-4-phenyl-1H-imidazol-1-yl}butyl)amine
• IUPAC Traditional name: methyl(4-{5-[(2E)-pent-2-en-3-yl]-4-phenylimidazol-1-yl}butyl)amine
• Synonyms: (4-{5-[(1E)-1-ethylprop-1-en-1-yl]-4-phenyl-1H-imidazol-1-yl}butyl)methylamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.5761277
• LogD (pH = 7.4): 1.2172371
• Log P: 4.111748
• Molar Refractivity: 95.0284 cm^3
• Polarizability: 37.92055 Å^3
• Polar Surface Area: 29.85 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 4.76
• LOG S: -4.43
• Polar Surface Area: 29.85 Å^2
• Rotatable Bonds: 8