WBD

2,5-dichloro-1H-benzimidazole

Created:	2020-10-07
Last modified:	2020-12-30

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1 entries where WBD 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 WBD

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Chemical Component Summary
Name	2,5-dichloro-1H-benzimidazole
Systematic Name (OpenEye OEToolkits)	2,5-bis(chloranyl)-1~{H}-benzimidazole
Formula	C₇ H₄ Cl₂ N₂
Molecular Weight	187.026
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c21c(nc(Cl)n1)ccc(c2)Cl
SMILES	CACTVS	3.385	Clc1[nH]c2ccc(Cl)cc2n1
SMILES	OpenEye OEToolkits	2.0.7	c1cc2c(cc1Cl)nc([nH]2)Cl
Canonical SMILES	CACTVS	3.385	Clc1[nH]c2ccc(Cl)cc2n1
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc2c(cc1Cl)nc([nH]2)Cl
InChI	InChI	1.03	InChI=1S/C7H4Cl2N2/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H,10,11)
InChIKey	InChI	1.03	LLIARSREYVCQHL-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	335473

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