1DQ

5-(trifluoromethyl)-1H-imidazole

Created:	2012-12-13
Last modified:	2013-03-27

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1 entries where 1DQ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	12
Chiral Atom Count	0
Bond Count	12
Aromatic Bond Count	5

2D diagram of 1DQ

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Chemical Component Summary
Name	5-(trifluoromethyl)-1H-imidazole
Systematic Name (OpenEye OEToolkits)	5-(trifluoromethyl)-1H-imidazole
Formula	C₄ H₃ F₃ N₂
Molecular Weight	136.075
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	FC(F)(F)c1cncn1
SMILES	CACTVS	3.370	FC(F)(F)c1[nH]cnc1
SMILES	OpenEye OEToolkits	1.7.6	c1c([nH]cn1)C(F)(F)F
Canonical SMILES	CACTVS	3.370	FC(F)(F)c1[nH]cnc1
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1c([nH]cn1)C(F)(F)F
InChI	InChI	1.03	InChI=1S/C4H3F3N2/c5-4(6,7)3-1-8-2-9-3/h1-2H,(H,8,9)
InChIKey	InChI	1.03	DFLGRTIPTPCKPJ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	585891
ChEMBL	CHEMBL2324236

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.