2-Isopropyl-1-methyl-5-(trifluoromethyl)-1H-benzo[d]imidazole

• Catalog: OFC61680044
• CAS: 61680-04-4
• Category: Fluorinated Benzimidazoles
• Synonyms: 1-Methyl-2-(propan-2-yl)-5-(trifluoromethyl)-1H-benzimidazole
• Purity: 97%

• IUPAC Name: 1-methyl-2-propan-2-yl-5-(trifluoromethyl)benzimidazole
• InChI: InChI=1S/C12H13F3N2/c1-7(2)11-16-9-6-8(12(13,14)15)4-5-10(9)17(11)3/h4-7H,1-3H3
• InChI Key: XLZGUCPEZKPAGA-UHFFFAOYSA-N
• Isomeric SMILES: CC(C)C1=NC2=C(N1C)C=CC(=C2)C(F)(F)F

• Molecular Formula: C12H13F3N2
• Molecular Weight: 242.24

• XLogP3-AA: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 242.10308291 g/mol
• Monoisotopic Mass: 242.10308291 g/mol
• Topological Polar Surface Area: 17.8Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 277