3-(1-{4-[2-(1H-imidazol-1-yl)ethoxy]phenyl}-1H-imidazol-2-yl)pyridine

• ChemBase ID: 639346
• Molecular Formular: C19H17N5O
• Molecular Mass: 331.37118
• Monoisotopic Mass: 331.14331019
• SMILES: c1(n(c2ccc(cc2)OCCn2cncc2)ccn1)c1cnccc1
• Canonical SMILES: c1ccc(cn1)c1nccn1c1ccc(cc1)OCCn1ccnc1
• InChI: InChI=1S/C19H17N5O/c1-2-16(14-20-7-1)19-22-9-11-24(19)17-3-5-18(6-4-17)25-13-12-23-10-8-21-15-23/h1-11,14-15H,12-13H2
• InChIKey: ZYXLLCRZIJQYCI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(1-{4-[2-(1H-imidazol-1-yl)ethoxy]phenyl}-1H-imidazol-2-yl)pyridine
• IUPAC Traditional name: 3-(1-{4-[2-(imidazol-1-yl)ethoxy]phenyl}imidazol-2-yl)pyridine
• Synonyms: 3-(1-{4-[2-(1H-imidazol-1-yl)ethoxy]phenyl}-1H-imidazol-2-yl)pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.4424031
• LogD (pH = 7.4): 2.2199993
• Log P: 2.2927637
• Molar Refractivity: 115.3548 cm^3
• Polarizability: 37.48319 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: 2.29
• LOG S: -3.57
• Polar Surface Area: 57.76 Å^2
• Rotatable Bonds: 6