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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1 entries where C64 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	0
Bond Count	41
Aromatic Bond Count	22

2D diagram of C64

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Chemical Component Summary
Name	N-(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
Formula	C₁₈ H₁₃ Br N₄ O S
Molecular Weight	413.291
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.352	Brc1ccc(NC(=O)Cn2c3ccccc3nc2c4sccn4)cc1
SMILES	OpenEye OEToolkits	1.7.0	c1ccc2c(c1)nc(n2CC(=O)Nc3ccc(cc3)Br)c4nccs4
Canonical SMILES	CACTVS	3.352	Brc1ccc(NC(=O)Cn2c3ccccc3nc2c4sccn4)cc1
Canonical SMILES	OpenEye OEToolkits	1.7.0	c1ccc2c(c1)nc(n2CC(=O)Nc3ccc(cc3)Br)c4nccs4
InChI	InChI	1.03	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)
InChIKey	InChI	1.03	GUHIASUSWSGRHY-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	44602364
ChEMBL	CHEMBL1231618

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