tert-Butyl 4-(1-(4-fluorobenzyl)-1H-benzo[d]imidazol-2-yl)piperidine-1-carboxylate

• Catalog: OFC1420816712-1
• CAS: 1420816-71-2
• Category: Fluorinated Benzimidazoles
• Synonyms: 1-Boc-4-[1-(4-Fluoro-benzyl)-1H-benzoimidazol-2-yl]piperidine
• Purity: 95%
• MDL Number: MFCD05662633

• IUPAC Name: tert-butyl 4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-1-carboxylate
• InChI: InChI=1S/C24H28FN3O2/c1-24(2,3)30-23(29)27-14-12-18(13-15-27)22-26-20-6-4-5-7-21(20)28(22)16-17-8-10-19(25)11-9-17/h4-11,18H,12-16H2,1-3H3
• InChI Key: FQRXXMUFCLNEEK-UHFFFAOYSA-N
• Isomeric SMILES: CC(C)(C)OC(=O)N1CCC(CC1)C2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)F

• Molecular Formula: C24H28FN3O2
• Molecular Weight: 409.50
• Storage: Sealed in dry, 2-8 °C

• XLogP3-AA: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 409.21655531 g/mol
• Monoisotopic Mass: 409.21655531 g/mol
• Topological Polar Surface Area: 47.4Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 580