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Also known as: 103577-40-8, 2-(((3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl)methyl)thio)-1h-benzo[d]imidazole, Ag-1777, 2-[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylthio-1h-benzimidazole, H 225/18, K-1252
Molecular Formula
C16H14F3N3OS
Molecular Weight
353.4  g/mol
InChI Key
CCHLMSUZHFPSFC-UHFFFAOYSA-N
FDA UNII
58XP950E2T

CAS 103577-40-8
1 2D Structure

CAS 103577-40-8

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-[[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfanyl]-1H-benzimidazole
2.1.2 InChI
InChI=1S/C16H14F3N3OS/c1-10-13(20-7-6-14(10)23-9-16(17,18)19)8-24-15-21-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,21,22)
2.1.3 InChI Key
CCHLMSUZHFPSFC-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)OCC(F)(F)F
2.2 Other Identifiers
2.2.1 UNII
58XP950E2T
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 103577-40-8

2. 2-(((3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl)methyl)thio)-1h-benzo[d]imidazole

3. Ag-1777

4. 2-[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylthio-1h-benzimidazole

5. H 225/18

6. K-1252

7. 1h-benzimidazole, 2-(((3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl)methyl)thio)-

8. Lansoprazole Related Compound B

9. Ec 600-451-9

10. 58xp950e2t

11. Lansoprazole Sulphide Compound

12. 2-[[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]thio]-1h-benzimidazole

13. 2-[[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfanyl]-1h-benzimidazole

14. 2-[[[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methyl]sulphanyl]-1h-benzimidazole

15. Lansoprazole Impurity C [ep]

16. Unii-58xp950e2t

17. 2-(3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl)methylthio-1h-benzimidazole

18. Ag 1777

19. Smr000119917

20. Chembl899

21. Lansoprazole Ep Impurity C

22. Mls000122531

23. Lansoprazole Impurity C

24. Schembl106519

25. Dtxsid60145906

26. Hms2365g10

27. Zinc815426

28. Act03359

29. Bcp12346

30. Mfcd00834357

31. Akos000676433

32. Ab07398

33. Ac-1232

34. Cs-w013902

35. 2-[[(3-methyl-4-(2,2,2-trifluoroethoxy)pyridinyl)methyl]thio]-1h-benzimidazole

36. 2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridyl]methylsulfanyl]-1h-benzimidazole

37. 2-[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl ]methyl Thio-1h-benzimidazole

38. As-13211

39. Db-000674

40. Ft-0631026

41. Lansoprazole Impurity C [ep Impurity]

42. M2800

43. F19518

44. Lansoprazole Related Compound B [usp-rs]

45. 577l408

46. Q-200222

47. Lansoprazole Related Compound B [usp Impurity]

48. Q27261628

49. 2-[[3-methyl-4-(2,2,2-trifluoroethoxy)pyrid-2-yl]methylthio]benzimidazole

50. 2-[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridylmethylthio]benzimidazole

51. 2-((3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl)methylthio)-1h-benzo[d]imidazole

52. 2-([3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]-methyl)thio-1h-benzimidazole

53. 2-({[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methyl}sulfanyl)-1h-1,3-benzodiazole

54. 2-[[[3 Methyl-4-(2,2,2 Trifluoroethoxy) 2-pyridyl]-methyl] Thio]-1h-benzimidazole

55. 2-[[[3-methyl-4-(2,2,2-trifluoro-ethoxy)-2-pyridinyl]methyl]-thio]1h-benzimidazole

56. 2-[[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]-methyl]thio]-1h-benzimidazole

57. 2-[[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]thio]-1h-benzimidazol

58. 2-[[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]thio]benzimidazole

59. 2-[[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridyl]-methyl]thio]benzimidazole

60. 2-[[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridyl]methyl]thio]benzimidazole

61. 2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridyl]methylthio]-1h-benzimidazole

62. 2-[3-methyl-4-(2,2,2-trifluoro Ethoxy)-2-pyridyl]methylthio-1h-benzimidazole

63. 2-[3-methyl-4-(2,2,2-trifluoro-ethoxy)-pyridin-2-ylmethylsulfanyl]-1h-benzoimidazole

64. 2-[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridyl]methylthio-1h-benzimidazole

65. 2-{[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylthio}-1h-benzimidazole

2.4 Create Date
2005-07-10
3 Chemical and Physical Properties
Molecular Weight 353.4 g/mol
Molecular Formula C16H14F3N3OS
XLogP34.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass353.08096774 g/mol
Monoisotopic Mass353.08096774 g/mol
Topological Polar Surface Area76.1 Ų
Heavy Atom Count24
Formal Charge0
Complexity413
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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