7-(1H-Benzo[d]imidazol-2-yl)-1,1,1-trifluoroheptan-2-one

• Catalog: OFC240121555
• CAS: 240121-55-5
• Category: Fluorinated Benzimidazoles
• Synonyms: 7-(1H-Benzoimidazol-2-yl)-1,1,1-trifluoroheptan-2-one
• Purity: 97%
• MDL Number: MFCD04116492

• IUPAC Name: 7-(1H-benzimidazol-2-yl)-1,1,1-trifluoroheptan-2-one
• InChI: InChI=1S/C14H15F3N2O/c15-14(16,17)12(20)8-2-1-3-9-13-18-10-6-4-5-7-11(10)19-13/h4-7H,1-3,8-9H2,(H,18,19)
• InChI Key: JPFKHCKWTSXIST-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC=C2C(=C1)NC(=N2)CCCCCC(=O)C(F)(F)F

• Molecular Formula: C14H15F3N2O
• Molecular Weight: 284.28

• XLogP3-AA: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 284.11364759 g/mol
• Monoisotopic Mass: 284.11364759 g/mol
• Topological Polar Surface Area: 45.8Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 333