Dataset

2-{2-benzimidazol-2-yl-1-[(4-methylphenyl)methyl]ethyl}benzimidazole; LC-APCI-QTOF; MS; NEGATIVE

This MassBank record with Accession MSBNK-Washington_State_Univ-BML80243 contains the MS mass spectrum of 2-{2-benzimidazol-2-yl-1-[(4-methylphenyl)methyl]ethyl}benzimidazole with the InChIkey GAODIMGJPXDDHA-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C24H22N4/c1-16-10-12-17(13-11-16)14-18(24-27-21-8-4-5-9-22(21)28-24)15-23-25-19-6-2-3-7-20(19)26-23/h2-13,18H,14-15H2,1H3,(H,25,26)(H,27,28)
SMILES CC1=CC=C(C=C1)CC(CC2=NC3=CC=CC=C3N2)C4=NC5=CC=CC=C5N4
InChI Key GAODIMGJPXDDHA-UHFFFAOYSA-N
Molecular Formula C24H22N4
Exact Mass 366.184 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML80243
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MetadataPublished 2016-01-19
Related Molecule
  • 2-[1-(1H-benzimidazol-2-yl)-3-(4-methylphenyl)propan-2-yl]-1H-benzimidazole
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL1514684 ChEMBL
    1178120 eMolecules
    3095741 PubChem
    MCULE-4017971804 Mcule
    SCHEMBL14029268 SureChEMBL
    The data in this table is sourced from UniChem at EBI.