7-Iodo-1-phenyl-5-(trifluoromethyl)-1H-benzo[d]imidazole

• Catalog: OFC159724308
• CAS: 159724-30-8
• Category: Fluorinated Benzimidazoles
• Synonyms: 7-iodo-1-phenyl-5-trifluoromethylbenzimidazole
• Purity: 97%

• IUPAC Name: 7-iodo-1-phenyl-5-(trifluoromethyl)benzimidazole
• InChI: InChI=1S/C14H8F3IN2/c15-14(16,17)9-6-11(18)13-12(7-9)19-8-20(13)10-4-2-1-3-5-10/h1-8H
• InChI Key: KXBXSUTXWUCPEB-UHFFFAOYSA-
• Isomeric SMILES: C1=CC=C(C=C1)N2C=NC3=C2C(=CC(=C3)C(F)(F)F)I

• Molecular Formula: C14H8F3IN2
• Molecular Weight: 388.13

• XLogP3-AA: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 387.96843 g/mol
• Monoisotopic Mass: 387.96843 g/mol
• Topological Polar Surface Area: 17.8Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 344