4-[2-(2-bromophenyl)-5-(4-fluorophenyl)-1H-imidazol-4-yl]pyridine

• ChemBase ID: 798607
• Molecular Formular: C20H13BrFN3
• Molecular Mass: 394.2397232
• Monoisotopic Mass: 393.02768765
• SMILES: n1ccc(cc1)c1nc([nH]c1c1ccc(cc1)F)c1c(cccc1)Br
• Canonical SMILES: Fc1ccc(cc1)c1[nH]c(nc1c1ccncc1)c1ccccc1Br
• InChI: InChI=1S/C20H13BrFN3/c21-17-4-2-1-3-16(17)20-24-18(13-5-7-15(22)8-6-13)19(25-20)14-9-11-23-12-10-14/h1-12H,(H,24,25)
• InChIKey: COVWDRBCMJOSQM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(2-bromophenyl)-5-(4-fluorophenyl)-1H-imidazol-4-yl]pyridine
• IUPAC Traditional name: 4-[2-(2-bromophenyl)-5-(4-fluorophenyl)-1H-imidazol-4-yl]pyridine
• Synonyms: 4-(2-(2-bromophenyl)-5-(4-fluorophenyl)-1h-imidazol-4-yl)pyridine

Database IDs

• CAS Number: 384820-17-1

CALCULATED PROPERTIES

• Acid pKa: 11.700452
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 5.094419
• LogD (pH = 7.4): 5.172532
• Log P: 5.17363
• Molar Refractivity: 109.5746 cm^3
• Polarizability: 40.695194 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 98%