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CAS 103577-40-8
PharmaCompass
CAS 103577-40-8
Also known as: 103577-40-8, 2-(((3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl)methyl)thio)-1h-benzo[d]imidazole, 2-[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylthio-1h-benzimidazole, Unii-58xp950e2t, Ag-1777, H 225/18
Molecular Formula
C16H14F3N3OS
Molecular Weight
353.363  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. 2-[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylthio-1h-benzimidazole

4. Unii-58xp950e2t

5. Ag-1777

6. H 225/18

7. Lansoprazole Sulphide Compound

8. 2-[[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]thio]-1h-benzimidazole

9. Ak-86378

10. Q-200222

11. 2-((methyl-4-(2,2,2-trifluoroethoxy)pyridinyl)thio)-1h-binzimidazole

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

13. 2-({[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methyl}sulfanyl)-1h-1,3-benzodiazole

14. 2-[[(3-methyl-4-(2,2,2-trifluoroethoxy)pyridinyl)methyl]thio]-1h-benzimidazole

15. 2-[[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridyl]methyl]thio]benzimidazole

16. 2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridyl]methylsulfanyl]-1h-benzimidazole

17. 2-[[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfanyl]-1h-benzimidazole

18. 2-[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl ]methyl Thio-1h-benzimidazole

19. Lansoprazole Sulfide;

20. Lansoprazole Impurity C [ep]

21. Pubchem7131

22. Smr000119917

23. Acmc-209wfq

24. Chembl899

25. Lansoprazole Ep Impurity C

26. Ac1lm0r3

27. Lansoprazole Sulphide

28. 2-[((3-methyl-4-[2,2,2-

29. Mls000122531

30. Lansoprazole Impurity C

31. Schembl106519

32. Ctk4a2198

33. Ks-00000ima

34. Dtxsid60145906

35. Cchlmsuzhfpsfc-uhfffaoysa-n

36. Molport-002-015-086

37. 58xp950e2t

38. Hms2365g10

39. Zinc815426

40. Act03359

41. Anw-46308

42. Mfcd00834357

43. Trifluoroethoxy]-2 Pyridinyl)

44. Akos000676433

45. Ab07398

46. Ac-1232

47. Ag 1777

48. Tra0082148

49. 1h-benzimidazole, 2-(((3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl)methyl)thio)-

50. Aj-23984

51. An-15124

52. As-13211

53. Bas 09531552

54. Bc208529

55. H616

56. Sc-00148

57. Zb014855

58. Ab0013147

59. Ax8017355

60. Db-000674

61. Kb-166576

62. Rt-013552

63. 4ch-009398

64. Ft-0631026

65. M2800

66. St24027396

67. K 1252

68. 577l408

69. 2-[[3-methyl-4-(2,2,2-trifluoroethoxy)pyrid-2yl]me

70. 2-[[3-methyl-4-(2,2,2-trifluoroethoxy)pyrid-2-yl]methylthio]benzimidazole

71. 2-[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridylmethylthio]benzimidazole

72. 2-([3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]-methyl)thio-1h-benzimidazole

73. 2-[[[3 Methyl-4-(2,2,2 Trifluoroethoxy) 2-pyridyl]-methyl] Thio]-1h-benzimidazole

74. 2-[[[3 Methyl-4-(2,2,2 Trifluoroethoxy) 2-pyridyl]-methyl]thio]-1h-benzimidazole

75. 2-[[[3-methyl-4-(2,2,2-trifluoro-ethoxy)-2-pyridinyl]methyl]-thio]1h-benzimidazole

76. 2-[[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]-methyl]thio]-1h-benzimidazole

77. 2-[[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]thio]-1h-benzimidazol

78. 2-[[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]thio]benzimidazole

79. 2-[[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridyl]-methyl]thio]benzimidazole

80. 2-[[[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methyl]sulphanyl]-1h-benzimidazole

81. 2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridyl]methylthio]-1h-benzimidazole

82. 2-[[3-methyl-4-(2,2,2-trifluoroethoxy)pyrid-2yl]methylthio]benzimidazole

83. 2-[3-methyl-4-(2,2,2-trifluoro Ethoxy)-2-pyridyl]methylthio-1h-benzimidazole

84. 2-[3-methyl-4-(2,2,2-trifluoro-ethoxy)-pyridin-2-ylmethylsulfanyl]-1h-benzoimidazole

85. 2-[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridyl]methylthio-1h-benzimidazole

86. 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 353.363 g/mol
Molecular Formula C16H14F3N3OS
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass353.081 g/mol
Monoisotopic Mass353.081 g/mol
Topological Polar Surface Area76.1 A^2
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
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