2-[(Methylamino)methyl]-5-(trifluoromethyl)-1H-benzimidazole

• Catalog: OFC193534291
• CAS: 193534-29-1
• Category: Fluorinated Benzimidazoles
• Synonyms: N-Methyl-1-[5-(trifluoromethyl)-1H-benzimidazol-2-yl]methylamine; N-{[5-(Trifluoromethyl)-1H-benzimidazol-2-yl]methyl}methylamine
• MDL Number: MFCD24110539

• IUPAC Name: N-methyl-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methanamine
• InChI: InChI=1S/C10H10F3N3/c1-14-5-9-15-7-3-2-6(10(11,12)13)4-8(7)16-9/h2-4,14H,5H2,1H3,(H,15,16)
• InChI Key: PAPGKGQRIPIDJF-UHFFFAOYSA-N
• Isomeric SMILES: CNCC1=NC2=C(N1)C=C(C=C2)C(F)(F)F

• Molecular Formula: C10H10F3N3
• Molecular Weight: 229.20

• XLogP3-AA: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 229.08268182 g/mol
• Monoisotopic Mass: 229.08268182 g/mol
• Topological Polar Surface Area: 40.7Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 244