C64

N-(4-bromophenyl)-2-[2-(1,3-thiazol-2-yl)-1H-benzimidazol-1-yl]acetamide

Created:2009-11-09
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count38
Chiral Atom Count0
Bond Count41
Aromatic Bond Count22
2D diagram of C64

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Chemical Component Summary

NameN-(4-bromophenyl)-2-[2-(1,3-thiazol-2-yl)-1H-benzimidazol-1-yl]acetamide
Systematic Name (OpenEye OEToolkits)N-(4-bromophenyl)-2-[2-(1,3-thiazol-2-yl)benzimidazol-1-yl]ethanamide
FormulaC18 H13 Br N4 O S
Molecular Weight413.291
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.352Brc1ccc(NC(=O)Cn2c3ccccc3nc2c4sccn4)cc1
SMILESOpenEye OEToolkits1.7.0c1ccc2c(c1)nc(n2CC(=O)Nc3ccc(cc3)Br)c4nccs4
Canonical SMILESCACTVS3.352 Brc1ccc(NC(=O)Cn2c3ccccc3nc2c4sccn4)cc1
Canonical SMILESOpenEye OEToolkits1.7.0 c1ccc2c(c1)nc(n2CC(=O)Nc3ccc(cc3)Br)c4nccs4
InChIInChI1.03 InChI=1S/C18H13BrN4OS/c19-12-5-7-13(8-6-12)21-16(24)11-23-15-4-2-1-3-14(15)22-17(23)18-20-9-10-25-18/h1-10H,11H2,(H,21,24)
InChIKeyInChI1.03 GUHIASUSWSGRHY-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 44602364
ChEMBL CHEMBL1231618