3-{[2-(4-Bromobenzoyl)-1H-benzimidazol-1-yl]methyl}benzonitrile

ChemSpider ID: 22480973
Molecular Formula: C₂₂H₁₄BrN₃O
Average mass: 416.270111 Da
Monoisotopic mass: 415.032013 Da
Systematic name

3-{[2-(4-Bromobenzoyl)-1H-benzimidazol-1-yl]methyl}benzonitrile
SMILES and InChIs

SMILES:

c1ccc2c(c1)nc(n2Cc3cccc(c3)C#N)C(=O)c4ccc(cc4)Br Copied

Std. InChI:

InChI=1S/C22H14BrN3O/c23-18-10-8-17(9-11-18)21(27)22-25-19-6-1-2-7-20(19)26(22)14-16-5-3-4-15(12-16)13-24/h1-12H,14H2 Copied

Std. InChIKey:

NXTABIURKZUKMV-UHFFFAOYSA-N Copied
Cite this record
CSID:22480973, http://www.chemspider.com/Chemical-Structure.22480973.html (accessed 11:27, May 25, 2012) Copied

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Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

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