O8A

N-cyclopropyl-5-[2-methyl-5-(trifluoromethoxy)-1H-benzimidazol-1-yl]thiophene-2-carboxamide

Created:2010-08-10
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count40
Chiral Atom Count0
Bond Count43
Aromatic Bond Count16
2D diagram of O8A

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Chemical Component Summary

NameN-cyclopropyl-5-[2-methyl-5-(trifluoromethoxy)-1H-benzimidazol-1-yl]thiophene-2-carboxamide
Systematic Name (OpenEye OEToolkits)N-cyclopropyl-5-[2-methyl-5-(trifluoromethoxy)benzimidazol-1-yl]thiophene-2-carboxamide
FormulaC17 H14 F3 N3 O2 S
Molecular Weight381.372
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01FC(F)(F)Oc4cc3nc(n(c1sc(cc1)C(=O)NC2CC2)c3cc4)C
SMILESCACTVS3.370Cc1nc2cc(OC(F)(F)F)ccc2n1c3sc(cc3)C(=O)NC4CC4
SMILESOpenEye OEToolkits1.7.0Cc1nc2cc(ccc2n1c3ccc(s3)C(=O)NC4CC4)OC(F)(F)F
Canonical SMILESCACTVS3.370 Cc1nc2cc(OC(F)(F)F)ccc2n1c3sc(cc3)C(=O)NC4CC4
Canonical SMILESOpenEye OEToolkits1.7.0 Cc1nc2cc(ccc2n1c3ccc(s3)C(=O)NC4CC4)OC(F)(F)F
InChIInChI1.03 InChI=1S/C17H14F3N3O2S/c1-9-21-12-8-11(25-17(18,19)20)4-5-13(12)23(9)15-7-6-14(26-15)16(24)22-10-2-3-10/h4-8,10H,2-3H2,1H3,(H,22,24)
InChIKeyInChI1.03 ACFOZQUWTKSSQQ-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL1234899
PubChem 46846313
ChEMBL CHEMBL1234899