3-{1-[(2,3-dimethoxyphenyl)methyl]-4-phenyl-1H-imidazol-5-yl}pyridine

• ChemBase ID: 646326
• Molecular Formular: C23H21N3O2
• Molecular Mass: 371.43174
• Monoisotopic Mass: 371.16337693
• SMILES: n1(c(c(nc1)c1ccccc1)c1cnccc1)Cc1c(c(OC)ccc1)OC
• Canonical SMILES: COc1cccc(c1OC)Cn1cnc(c1c1cccnc1)c1ccccc1
• InChI: InChI=1S/C23H21N3O2/c1-27-20-12-6-10-19(23(20)28-2)15-26-16-25-21(17-8-4-3-5-9-17)22(26)18-11-7-13-24-14-18/h3-14,16H,15H2,1-2H3
• InChIKey: GHXWSVVGNHFQID-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{1-[(2,3-dimethoxyphenyl)methyl]-4-phenyl-1H-imidazol-5-yl}pyridine
• IUPAC Traditional name: 3-{3-[(2,3-dimethoxyphenyl)methyl]-5-phenylimidazol-4-yl}pyridine
• Synonyms: 3-[1-(2,3-dimethoxybenzyl)-4-phenyl-1H-imidazol-5-yl]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.6732676
• LogD (pH = 7.4): 3.8670409
• Log P: 3.870212
• Molar Refractivity: 109.0695 cm^3
• Polarizability: 44.626102 Å^3
• Polar Surface Area: 49.17 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: 3.6
• LOG S: -4.98
• Polar Surface Area: 49.17 Å^2
• Rotatable Bonds: 6