4-(Trifluoromethyl)-1H-benzimidazole

• Catalog: OFC392110
• CAS: 392-11-0
• Category: Fluorinated Benzimidazoles
• Synonyms: 7-(Trifluoromethyl)-1H-benzo[d]imidazole
• MDL Number: MFCD08741394

• IUPAC Name: 4-(trifluoromethyl)-1H-benzimidazole
• InChI: InChI=1S/C8H5F3N2/c9-8(10,11)5-2-1-3-6-7(5)13-4-12-6/h1-4H,(H,12,13)
• InChI Key: FKGDDNPWZXAZFJ-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC(=C2C(=C1)NC=N2)C(F)(F)F

• Molecular Formula: C8H5F3N2
• Molecular Weight: 186.13

• XLogP3-AA: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 186.04048265 g/mol
• Monoisotopic Mass: 186.04048265 g/mol
• Topological Polar Surface Area: 28.7Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 192