ES9

5-chloro-1H-benzimidazole

Created:	2009-12-04
Last modified:	2011-06-04

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1 entries where ES9 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	15
Chiral Atom Count	0
Bond Count	16
Aromatic Bond Count	10

2D diagram of ES9

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Chemical Component Summary
Name	5-chloro-1H-benzimidazole
Systematic Name (OpenEye OEToolkits)	5-chloro-1H-benzimidazole
Formula	C₇ H₅ Cl N₂
Molecular Weight	152.581
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.352	Clc1ccc2[nH]cnc2c1
SMILES	OpenEye OEToolkits	1.7.0	c1cc2c(cc1Cl)nc[nH]2
Canonical SMILES	CACTVS	3.352	Clc1ccc2[nH]cnc2c1
Canonical SMILES	OpenEye OEToolkits	1.7.0	c1cc2c(cc1Cl)nc[nH]2
InChI	InChI	1.03	InChI=1S/C7H5ClN2/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4H,(H,9,10)
InChIKey	InChI	1.03	NKLOLMQJDLMZRE-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	78599
ChEMBL	CHEMBL69098

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.