5-(1-benzofuran-2-yl)-1-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-4-phenyl-1H-imidazole

• ChemBase ID: 540727
• Molecular Formular: C23H20N4O
• Molecular Mass: 368.4311
• Monoisotopic Mass: 368.16371128
• SMILES: c1(c2oc3c(c2)cccc3)c(ncn1CCn1c(ncc1)C)c1ccccc1
• Canonical SMILES: Cc1nccn1CCn1cnc(c1c1cc2c(o1)cccc2)c1ccccc1
• InChI: InChI=1S/C23H20N4O/c1-17-24-11-12-26(17)13-14-27-16-25-22(18-7-3-2-4-8-18)23(27)21-15-19-9-5-6-10-20(19)28-21/h2-12,15-16H,13-14H2,1H3
• InChIKey: XVKCILKOMCSUMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.730317
• LogD (pH = 7.4): 3.5467427
• Log P: 3.7878702
• Molar Refractivity: 108.7872 cm^3
• Polarizability: 45.27043 Å^3
• Polar Surface Area: 48.78 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.32
• LOG S: -5.57
• Polar Surface Area: 48.78 Å^2
• Rotatable Bonds: 5