2-(Chloromethyl)-1-methyl-5-(trifluoromethyl)-1H-benzimidazole

• Catalog: OFC942034993
• CAS: 942034-99-3
• Category: Fluorinated Benzimidazoles
• Synonyms: 2-(Chloromethyl)-1-methyl-5-(trifluoromethyl)-1H-benzoimidazole
• MDL Number: MFCD09028434

• IUPAC Name: 2-(chloromethyl)-1-methyl-5-(trifluoromethyl)benzimidazole
• InChI: InChI=1S/C10H8ClF3N2/c1-16-8-3-2-6(10(12,13)14)4-7(8)15-9(16)5-11/h2-4H,5H2,1H3
• InChI Key: XWOBZZFDBNGPCI-UHFFFAOYSA-N
• Isomeric SMILES: CN1C2=C(C=C(C=C2)C(F)(F)F)N=C1CCl

• Molecular Formula: C10H8ClF3N2
• Molecular Weight: 248.63

• XLogP3-AA: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 248.0328104 g/mol
• Monoisotopic Mass: 248.0328104 g/mol
• Topological Polar Surface Area: 17.8Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 259