2-(4-Fluorophenyl)-1-methyl-1H-1,3-benzodiazole

• Catalog: OFC724594
• CAS: 724-59-4
• Category: Fluorinated Benzimidazoles
• Synonyms: 2-(4-fluorophenyl)-1-methylbenzimidazole
• MDL Number: MFCD00009741

• IUPAC Name: 2-(4-fluorophenyl)-1-methylbenzimidazole
• InChI: InChI=1S/C14H11FN2/c1-17-13-5-3-2-4-12(13)16-14(17)10-6-8-11(15)9-7-10/h2-9H,1H3
• InChI Key: NIOPLOPPKJTSGQ-UHFFFAOYSA-N
• Isomeric SMILES: CN1C2=CC=CC=C2N=C1C3=CC=C(C=C3)F

• Molecular Formula: C14H11FN2
• Molecular Weight: 226.25
• Melting Point: 101-102 °C

• XLogP3-AA: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 226.09062652 g/mol
• Monoisotopic Mass: 226.09062652 g/mol
• Topological Polar Surface Area: 17.8Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 263