1-(5-Bromopyridin-2-yl)-5-methoxy-2-(trifluoromethyl)-1H-benzo[d]imidazole

• Catalog: OFC951238112
• CAS: 951238-11-2
• Category: Fluorinated Benzimidazoles
• Synonyms: 1H-Benzimidazole,1-(5-bromo-2-pyridinyl)-5-methoxy-2-(trifluoromethyl)-
• Purity: 97%

• IUPAC Name: 1-(5-bromopyridin-2-yl)-5-methoxy-2-(trifluoromethyl)benzimidazole
• InChI: InChI=1S/C14H9BrF3N3O/c1-22-9-3-4-11-10(6-9)20-13(14(16,17)18)21(11)12-5-2-8(15)7-19-12/h2-7H,1H3
• InChI Key: FMCXBLXTVKDKJA-UHFFFAOYSA-N
• Isomeric SMILES: COC1=CC2=C(C=C1)N(C(=N2)C(F)(F)F)C3=NC=C(C=C3)Br

• Molecular Formula: C14H9BrF3N3O
• Molecular Weight: 372.14

• XLogP3-AA: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 370.98811 g/mol
• Monoisotopic Mass: 370.98811 g/mol
• Topological Polar Surface Area: 39.9Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 398