5-(2-{2-[2-(1H-imidazol-1-yl)ethoxy]phenyl}-1H-imidazol-1-yl)-2-methylpyridine

• ChemBase ID: 750871
• Molecular Formular: C20H19N5O
• Molecular Mass: 345.39776
• Monoisotopic Mass: 345.15896025
• SMILES: c1(n(c2cnc(cc2)C)ccn1)c1c(OCCn2cncc2)cccc1
• Canonical SMILES: Cc1ccc(cn1)n1ccnc1c1ccccc1OCCn1cncc1
• InChI: InChI=1S/C20H19N5O/c1-16-6-7-17(14-23-16)25-11-9-22-20(25)18-4-2-3-5-19(18)26-13-12-24-10-8-21-15-24/h2-11,14-15H,12-13H2,1H3
• InChIKey: ZXYMQFWBURBMAF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2-{2-[2-(1H-imidazol-1-yl)ethoxy]phenyl}-1H-imidazol-1-yl)-2-methylpyridine
• IUPAC Traditional name: 5-(2-{2-[2-(imidazol-1-yl)ethoxy]phenyl}imidazol-1-yl)-2-methylpyridine
• Synonyms: 5-(2-{2-[2-(1H-imidazol-1-yl)ethoxy]phenyl}-1H-imidazol-1-yl)-2-methylpyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.2571715
• LogD (pH = 7.4): 2.3441632
• Log P: 2.424134
• Molar Refractivity: 119.9463 cm^3
• Polarizability: 39.25409 Å^3
• Polar Surface Area: 57.76 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: 2.7
• LOG S: -4.02
• Polar Surface Area: 57.76 Å^2
• Rotatable Bonds: 6