6-(Trifluoromethyl)-1H-benzo[d]imidazol-2-ol

• Catalog: OFC133687931
• CAS: 133687-93-1
• Category: Fluorinated Benzimidazoles
• Synonyms: 5-(Trifluoromethyl)-1H-benzo[d]imidazol-2(3H)-one
• MDL Number: MFCD18157723

• IUPAC Name: 5-(trifluoromethyl)-1,3-dihydrobenzimidazol-2-one
• InChI: InChI=1S/C8H5F3N2O/c9-8(10,11)4-1-2-5-6(3-4)13-7(14)12-5/h1-3H,(H2,12,13,14)
• InChI Key: LSOWBXYANGMSPY-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC2=C(C=C1C(F)(F)F)NC(=O)N2

• Molecular Formula: C8H5F3N2O
• Molecular Weight: 202.13

• XLogP3-AA: 1.4
• Hydrogen Bond Donor Count: 12
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 202.03539727 g/mol
• Monoisotopic Mass: 202.03539727 g/mol
• Topological Polar Surface Area: 41.1Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 254