4-[1-(4-Fluoro-benzyl)-1H-benzoimidazol-2-yloxymethyl]-piperidine-1-carboxylic acid tert-butyl ester

• Catalog: OFC1353978581
• CAS: 1353978-58-1
• Category: Fluorinated Benzimidazoles
• Synonyms: 4-[1-(4-Fluoro-benzyl)-1H-benzoimidazol-2-yloxymethyl]-piperidine-1-carboxylic acid tert-butyl ester
• MDL Number: MFCD21098981

• IUPAC Name: tert-butyl 4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]oxymethyl]piperidine-1-carboxylate
• InChI: InChI=1S/C25H30FN3O3/c1-25(2,3)32-24(30)28-14-12-19(13-15-28)17-31-23-27-21-6-4-5-7-22(21)29(23)16-18-8-10-20(26)11-9-18/h4-11,19H,12-17H2,1-3H3
• InChI Key: LCEKIVQYTFHCBN-UHFFFAOYSA-N
• Isomeric SMILES: CC(C)(C)OC(=O)N1CCC(CC1)COC2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)F

• Molecular Formula: C25H30FN3O3
• Molecular Weight: 439.52

• XLogP3-AA: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 439.22711999 g/mol
• Monoisotopic Mass: 439.22711999 g/mol
• Topological Polar Surface Area: 56.6Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 612