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

• Catalog: OFC950845984
• CAS: 950845-98-4
• Category: Fluorinated Benzimidazoles
• Synonyms: 1H-Benzimidazole,1-(5-bromo-2-pyrazinyl)-5-methoxy-2-(trifluoromethyl)-
• Purity: 97%

• IUPAC Name: 1-(5-bromopyrazin-2-yl)-5-methoxy-2-(trifluoromethyl)benzimidazole
• InChI: InChI=1S/C13H8BrF3N4O/c1-22-7-2-3-9-8(4-7)20-12(13(15,16)17)21(9)11-6-18-10(14)5-19-11/h2-6H,1H3
• InChI Key: RRQKJLGOGVQXAC-UHFFFAOYSA-N
• Isomeric SMILES: COC1=CC2=C(C=C1)N(C(=N2)C(F)(F)F)C3=CN=C(C=N3)Br

• Molecular Formula: C13H8BrF3N4O
• Molecular Weight: 373.13

• XLogP3-AA: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 371.98336 g/mol
• Monoisotopic Mass: 371.98336 g/mol
• Topological Polar Surface Area: 52.8Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 400