1-[3-(1H-imidazol-1-yl)propyl]-5-[(E)-2-(2-methoxyphenyl)ethenyl]-4-phenyl-1H-imidazole

• ChemBase ID: 708609
• Molecular Formular: C24H24N4O
• Molecular Mass: 384.47356
• Monoisotopic Mass: 384.19501141
• SMILES: n1c(c(n(c1)CCCn1cncc1)/C=C/c1c(OC)cccc1)c1ccccc1
• Canonical SMILES: COc1ccccc1/C=C/c1n(CCCn2cncc2)cnc1c1ccccc1
• InChI: InChI=1S/C24H24N4O/c1-29-23-11-6-5-8-20(23)12-13-22-24(21-9-3-2-4-10-21)26-19-28(22)16-7-15-27-17-14-25-18-27/h2-6,8-14,17-19H,7,15-16H2,1H3/b13-12+
• InChIKey: GORJVGSJEALCAH-OUKQBFOZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[3-(1H-imidazol-1-yl)propyl]-5-[(E)-2-(2-methoxyphenyl)ethenyl]-4-phenyl-1H-imidazole
• IUPAC Traditional name: 1-[3-(imidazol-1-yl)propyl]-5-[(E)-2-(2-methoxyphenyl)ethenyl]-4-phenylimidazole
• Synonyms: 1-[3-(1H-imidazol-1-yl)propyl]-5-[(E)-2-(2-methoxyphenyl)vinyl]-4-phenyl-1H-imidazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.3300219
• LogD (pH = 7.4): 4.105409
• Log P: 4.180585
• Molar Refractivity: 117.2751 cm^3
• Polarizability: 45.631805 Å^3
• Polar Surface Area: 44.87 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: 4.34
• LOG S: -5.71
• Polar Surface Area: 44.87 Å^2
• Rotatable Bonds: 8