CAS 103577-40-8

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22 Related Intermediates

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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

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 Formula	C₁₆H₁₄F₃N₃OS
Molecular Weight	353.4 g/mol
XLogP3	4.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	353.08096774 g/mol
Monoisotopic Mass	353.08096774 g/mol
Topological Polar Surface Area	76.1 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	413
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1