For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2-[(4'-Methylpiperidin-1'-yl)methyl]-5(6)-chloro-1-(p-fluorobenzyl)-1H-benzimidazole
SpectraBase Compound ID FAf6mvq91de
InChI InChI=1S/C21H23ClFN3/c1-15-8-10-25(11-9-15)14-21-24-19-12-17(22)4-7-20(19)26(21)13-16-2-5-18(23)6-3-16/h2-7,12,15H,8-11,13-14H2,1H3
InChIKey NZKCODKOWBOAPY-UHFFFAOYSA-N
Mol Weight 371.89 g/mol
Molecular Formula C21H23ClFN3
Exact Mass 371.156454 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 5wxZQO7SjTp
Name 2-[(4'-Methylpiperidin-1'-yl)methyl]-5(6)-chloro-1-(p-fluorobenzyl)-1H-benzimidazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 371.156453616 u
Formula C21H23ClFN3
InChI InChI=1S/C21H23ClFN3/c1-15-8-10-25(11-9-15)14-21-24-19-12-17(22)4-7-20(19)26(21)13-16-2-5-18(23)6-3-16/h2-7,12,15H,8-11,13-14H2,1H3
InChIKey NZKCODKOWBOAPY-UHFFFAOYSA-N
Molecular Weight 371.887 g/mol
SMILES C=1(N(C=2C=CC(=CC2N1)Cl)CC=1C=CC(=CC1)F)CN1CCC(CC1)C