2-({4-phenyl-5-[2-(prop-2-en-1-yloxy)phenyl]-1H-imidazol-1-yl}methyl)pyridine

• ChemBase ID: 325813
• Molecular Formular: C24H21N3O
• Molecular Mass: 367.44304
• Monoisotopic Mass: 367.16846231
• SMILES: c1(n(cnc1c1ccccc1)Cc1ncccc1)c1c(OCC=C)cccc1
• Canonical SMILES: C=CCOc1ccccc1c1n(cnc1c1ccccc1)Cc1ccccn1
• InChI: InChI=1S/C24H21N3O/c1-2-16-28-22-14-7-6-13-21(22)24-23(19-10-4-3-5-11-19)26-18-27(24)17-20-12-8-9-15-25-20/h2-15,18H,1,16-17H2
• InChIKey: URSAVHNCFNYMCL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-({4-phenyl-5-[2-(prop-2-en-1-yloxy)phenyl]-1H-imidazol-1-yl}methyl)pyridine
• IUPAC Traditional name: 2-({4-phenyl-5-[2-(prop-2-en-1-yloxy)phenyl]imidazol-1-yl}methyl)pyridine
• Synonyms: 2-({5-[2-(allyloxy)phenyl]-4-phenyl-1H-imidazol-1-yl}methyl)pyridine

CALCULATED PROPERTIES

JChem

• Polarizability: 45.627365 Å^3
• Polar Surface Area: 39.94 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.591345
• LogD (pH = 7.4): 4.8367443
• Log P: 4.8406053
• Molar Refractivity: 111.2468 cm^3

供应商提供(Chembridge)

• Polar Surface Area: 39.94 Å^2
• Rotatable Bonds: 7
• H Acceptors: 3
• H Donor: 0
• Log P: 4.08
• LOG S: -4.07