56U

2-(difluoromethyl)-1H-benzimidazole

Created:	2015-08-06
Last modified:	2016-08-03

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1 entries where 56U is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	18
Chiral Atom Count	0
Bond Count	19
Aromatic Bond Count	10

2D diagram of 56U

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Chemical Component Summary
Name	2-(difluoromethyl)-1H-benzimidazole
Systematic Name (OpenEye OEToolkits)	2-[bis(fluoranyl)methyl]-1H-benzimidazole
Formula	C₈ H₆ F₂ N₂
Molecular Weight	168.143
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c2c1c(nc(C(F)F)n1)ccc2
SMILES	CACTVS	3.385	FC(F)c1[nH]c2ccccc2n1
SMILES	OpenEye OEToolkits	1.9.2	c1ccc2c(c1)[nH]c(n2)C(F)F
Canonical SMILES	CACTVS	3.385	FC(F)c1[nH]c2ccccc2n1
Canonical SMILES	OpenEye OEToolkits	1.9.2	c1ccc2c(c1)[nH]c(n2)C(F)F
InChI	InChI	1.03	InChI=1S/C8H6F2N2/c9-7(10)8-11-5-3-1-2-4-6(5)12-8/h1-4,7H,(H,11,12)
InChIKey	InChI	1.03	PURNIHSRWGYONZ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	597703
ChEMBL	CHEMBL1502799
CCDC/CSD	REZBIJ

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