O06

~{N}-[3-methyl-2-(3-methyl-3-oxidanyl-butyl)-6-(2-oxidanylpropan-2-yl)benzimidazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

Created: 2022-08-25
Last modified:  2023-09-06

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Chemical Details

Formal Charge0
Atom Count60
Chiral Atom Count0
Bond Count62
Aromatic Bond Count16
2D diagram of O06
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Chemical Component Summary

Name~{N}-[3-methyl-2-(3-methyl-3-oxidanyl-butyl)-6-(2-oxidanylpropan-2-yl)benzimidazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
Systematic Name (OpenEye OEToolkits)~{N}-[3-methyl-2-(3-methyl-3-oxidanyl-butyl)-6-(2-oxidanylpropan-2-yl)benzimidazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
FormulaC23 H27 F3 N4 O3
Molecular Weight464.481
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385Cn1c(CCC(C)(C)O)nc2cc(c(NC(=O)c3cccc(n3)C(F)(F)F)cc12)C(C)(C)O
SMILESOpenEye OEToolkits3.1.0.0CC(C)(CCc1nc2cc(c(cc2n1C)NC(=O)c3cccc(n3)C(F)(F)F)C(C)(C)O)O
Canonical SMILESCACTVS3.385 Cn1c(CCC(C)(C)O)nc2cc(c(NC(=O)c3cccc(n3)C(F)(F)F)cc12)C(C)(C)O
Canonical SMILESOpenEye OEToolkits3.1.0.0 CC(C)(CCc1nc2cc(c(cc2n1C)NC(=O)c3cccc(n3)C(F)(F)F)C(C)(C)O)O
InChIInChI1.06 InChI=1S/C23H27F3N4O3/c1-21(2,32)10-9-19-28-16-11-13(22(3,4)33)15(12-17(16)30(19)5)29-20(31)14-7-6-8-18(27-14)23(24,25)26/h6-8,11-12,32-33H,9-10H2,1-5H3,(H,29,31)
InChIKeyInChI1.06 HRMRCQCPDQTKCV-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 138656922