5-(2,5-dimethoxyphenyl)-1-[2-(1H-imidazol-1-yl)ethyl]-4-phenyl-1H-imidazole

• ChemBase ID: 580267
• Molecular Formular: C22H22N4O2
• Molecular Mass: 374.43568
• Monoisotopic Mass: 374.17427596
• SMILES: c1(c2c(ccc(c2)OC)OC)c(ncn1CCn1cncc1)c1ccccc1
• Canonical SMILES: COc1ccc(c(c1)c1n(CCn2ccnc2)cnc1c1ccccc1)OC
• InChI: InChI=1S/C22H22N4O2/c1-27-18-8-9-20(28-2)19(14-18)22-21(17-6-4-3-5-7-17)24-16-26(22)13-12-25-11-10-23-15-25/h3-11,14-16H,12-13H2,1-2H3
• InChIKey: OEFJRPMZAGWWLH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2,5-dimethoxyphenyl)-1-[2-(1H-imidazol-1-yl)ethyl]-4-phenyl-1H-imidazole
• IUPAC Traditional name: 5-(2,5-dimethoxyphenyl)-1-[2-(imidazol-1-yl)ethyl]-4-phenylimidazole
• Synonyms: 5-(2,5-dimethoxyphenyl)-1-[2-(1H-imidazol-1-yl)ethyl]-4-phenyl-1H-imidazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.5870073
• LogD (pH = 7.4): 3.20088
• Log P: 3.2703383
• Molar Refractivity: 108.5543 cm^3
• Polarizability: 44.056362 Å^3
• Polar Surface Area: 54.1 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.8
• LOG S: -4.32
• Polar Surface Area: 54.1 Å^2
• Rotatable Bonds: 7