71N

2-(trifluoromethyl)-1H-benzimidazol-5-amine

Created:2016-08-10
Last modified:  2017-02-15

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Chemical Details

Formal Charge0
Atom Count20
Chiral Atom Count0
Bond Count21
Aromatic Bond Count10
2D diagram of 71N

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Chemical Component Summary

Name2-(trifluoromethyl)-1H-benzimidazol-5-amine
Systematic Name (OpenEye OEToolkits)2-(trifluoromethyl)-1~{H}-benzimidazol-5-amine
FormulaC8 H6 F3 N3
Molecular Weight201.149
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01FC(F)(F)c2nc1c(cc(cc1)N)n2
SMILESCACTVS3.385Nc1ccc2[nH]c(nc2c1)C(F)(F)F
SMILESOpenEye OEToolkits2.0.5c1cc2c(cc1N)nc([nH]2)C(F)(F)F
Canonical SMILESCACTVS3.385 Nc1ccc2[nH]c(nc2c1)C(F)(F)F
Canonical SMILESOpenEye OEToolkits2.0.5 c1cc2c(cc1N)nc([nH]2)C(F)(F)F
InChIInChI1.03 InChI=1S/C8H6F3N3/c9-8(10,11)7-13-5-2-1-4(12)3-6(5)14-7/h1-3H,12H2,(H,13,14)
InChIKeyInChI1.03 CKEKFQLHCAZGSP-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 19345
ChEMBL CHEMBL1625689