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

• ChemBase ID: 799516
• Molecular Formular: C14H10BrN3
• Molecular Mass: 300.1533
• Monoisotopic Mass: 299.00580934
• SMILES: n1c(cccc1)c1[nH]cc(n1)c1ccc(cc1)Br
• Canonical SMILES: Brc1ccc(cc1)c1c[nH]c(n1)c1ccccn1
• InChI: InChI=1S/C14H10BrN3/c15-11-6-4-10(5-7-11)13-9-17-14(18-13)12-3-1-2-8-16-12/h1-9H,(H,17,18)
• InChIKey: CTYOHWMPZFAPEK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

• Acid pKa: 11.949134
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.8492367
• LogD (pH = 7.4): 3.8495364
• Log P: 3.8495522
• Molar Refractivity: 83.9725 cm^3
• Polarizability: 30.115986 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%