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2-(4-(benzyloxy)phenyl)-N-(4-fluorobenzyl)-1H-benzo[d]imidazole-5-carboxamide
SpectraBase Compound ID 4m31u1rq0kr
InChI InChI=1S/C28H22FN3O2/c29-23-11-6-19(7-12-23)17-30-28(33)22-10-15-25-26(16-22)32-27(31-25)21-8-13-24(14-9-21)34-18-20-4-2-1-3-5-20/h1-16H,17-18H2,(H,30,33)(H,31,32)
InChIKey HSNZBPMHTRNRAW-UHFFFAOYSA-N
Mol Weight 451.5 g/mol
Molecular Formula C28H22FN3O2
Exact Mass 451.169605 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GC4f4IssDvv
Name 2-(4-(benzyloxy)phenyl)-N-(4-fluorobenzyl)-1H-benzo[d]imidazole-5-carboxamide
Alternate Name(s) 2-(4-benzyloxyphenyl)-N-[(4-fluorophenyl)methyl]-3H-benzimidazole-5-carboxamide N-[(4-fluorophenyl)methyl]-2-(4-phenylmethoxyphenyl)-3H-benzimidazole-5-carboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H22FN3O2
InChI InChI=1S/C28H22FN3O2/c29-23-11-6-19(7-12-23)17-30-28(33)22-10-15-25-26(16-22)32-27(31-25)21-8-13-24(14-9-21)34-18-20-4-2-1-3-5-20/h1-16H,17-18H2,(H,30,33)(H,31,32)
InChIKey HSNZBPMHTRNRAW-UHFFFAOYSA-N
Literature Reference DOI 10.1002_1521-4184(200105)334_5_148
Molecular Weight 451.501 g/mol
SMILES [nH]1c2c(cc(C(NCc3ccc(cc3)F)=O)cc2)nc1-c1ccc(OCc2ccccc2)cc1
SPLASH splash10-0006-9000000000-8a742d3e3cf83157d820
Source of Spectrum APP-334-149-32
Wiley ID 1770566