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    CAS 103577-40-8

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    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

    2D Structure

    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