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    CAS 139481-44-0

    BUILDING BLOCK

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    PharmaCompass
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    2D Structure
    Also known as: 139481-44-0, Methyl 1-[(2'-cyanobiphenyl-4-yl)methyl]-2-ethoxy-1h-benzimidazole-7-carboxylate, Methyl 3-[[4-(2-cyanophenyl)phenyl]methyl]-2-ethoxybenzimidazole-4-carboxylate, Methyl 1-[(2'-cyanobiphenyl-4-yl)methyl]-2-ethoxybenzimidazole-7-carboxylate, 1-[(2'-cyano-1,1'-biphenyl-4-yl)methyl]-2-ethoxy-7-benzimidazolecarboxylic acid methyl ester, Methyl 1-((2'-cyanobiphenyl-4-yl)methyl)-2-ethoxy-1h-benzimidazole-7-carboxylate
    Molecular Formula
    C25H21N3O3
    Molecular Weight
    411.5  g/mol
    InChI Key
    KSXLHOFDCDKQLH-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    methyl 3-[[4-(2-cyanophenyl)phenyl]methyl]-2-ethoxybenzimidazole-4-carboxylate
    2.1.2 InChI
    InChI=1S/C25H21N3O3/c1-3-31-25-27-22-10-6-9-21(24(29)30-2)23(22)28(25)16-17-11-13-18(14-12-17)20-8-5-4-7-19(20)15-26/h4-14H,3,16H2,1-2H3
    2.1.3 InChI Key
    KSXLHOFDCDKQLH-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C#N)C(=O)OC
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 139481-44-0

    2. Methyl 1-[(2'-cyanobiphenyl-4-yl)methyl]-2-ethoxy-1h-benzimidazole-7-carboxylate

    3. Methyl 3-[[4-(2-cyanophenyl)phenyl]methyl]-2-ethoxybenzimidazole-4-carboxylate

    4. Methyl 1-[(2'-cyanobiphenyl-4-yl)methyl]-2-ethoxybenzimidazole-7-carboxylate

    5. 1-[(2'-cyano-1,1'-biphenyl-4-yl)methyl]-2-ethoxy-7-benzimidazolecarboxylic Acid Methyl Ester

    6. Methyl 1-((2'-cyanobiphenyl-4-yl)methyl)-2-ethoxy-1h-benzimidazole-7-carboxylate

    7. Methyl 1-((2'-cyanobiphenyl-4-yl)methyl]-2-ethoxybenzimidazole-7-carboxylate

    8. Methyl 1-[(2'-cyanobiphenyl-4-yl]methyl]-2-ethoxybenzimidazole-7-carboxylate

    9. Methyl 1-[(2'-cyano-[1,1'-biphenyl]-4-yl)methyl]-2-ethoxy-1h-benzo[d]imidazole-7-carboxylate

    10. Azilsartan Impurity 1

    11. Ec 604-137-2

    12. 1h-benzimidazole-7-carboxylic Acid, 1-[(2'-cyano[1,1'-biphenyl]-4-yl)methyl]-2-ethoxy-, Methyl Ester

    13. Schembl3976108

    14. Dtxsid80576394

    15. Bcp22836

    16. Cx1031

    17. Mfcd09031384

    18. Zinc21992940

    19. Akos015896142

    20. Ac-7777

    21. 3-(2'-cyano-biphenyl-4-ylmethyl)-2-ethoxy-3h-benzoimidazole-4-carboxylic Acid Methyl Ester

    22. Methyl 1-((2'-cyanobiphenyl-4-yl) Methyl)-2-ethoxy-1h-benzimidazole-7-carboxylate

    23. Methyl 1-[(2'-cyano[1,1'-biphenyl]-4-yl)methyl]-2-ethoxy-1h-benzimidazole-7-carboxylate

    24. Methyl 3-[[4-(2-cyanophenyl)phenyl]methyl]-2-ethoxy-benzimidazole-4-carboxylate

    25. 1h-benzimidazole-7-carboxylicacid, 1-[(2'-cyano[1,1'-biphenyl]-4-yl)methyl]-2-ethoxy-methylester

    26. Ds-18467

    27. Db-010917

    28. Am20120674

    29. Cs-0151435

    30. Ft-0659426

    31. M3197

    32. 481b440

    33. A807544

    34. Methyl 1-(2'-cyanobiphenyl-4-yl)methyl-2-ethoxybenzimidazole-7-carboxylate

    35. 1-(2-cyanobiphenyl-4-yl-methyl)- 2-ethoxybenzimidazole-7-carboxylic Acid Ethyl Ester

    36. 1-[(2'-cyanobiphenyl-4-yl)methyl]-2-ethoxy-1h-benzimidazole-7-carboxylic Acid Methyl Ester

    37. 1-[[2'-cyano-biphenyl-4-yl] Methyl]-2-ethoxy-1h-benzimidazole-7-carboxylate Methyl Ester

    38. 3-[[4-(2-cyanophenyl)phenyl]methyl]-2-ethoxy-4-benzimidazolecarboxylic Acid Methyl Ester

    39. Methyl 1-[(2'-cyanobiphenyl-4-yl)-methyl]-2-ethoxybenzimidazole-7-carboxylate

    40. Methyl 1-[(2'-cyanobiphenyl-4-yl)methyl]-2-ethoxy-benzimidazole-7-carboxylate

    41. Methyl 1[(2'-cyanobiphenyl-4-yl)methyl]-2-ethoxy-benzimidazole-7-carboxylate

    42. Methyl-1-[(2'-cyanobiphenyl-4-yl)methyl]-2-ethoxy-1h-benzimidazole-7-carboxylate

    43. 1h-benzimidazole-7-carboxylic Acid, 1-[(2'-cyano[1,1'-biphenyl]-4-yl)methyl]-2-ethoxy-methyl Ester

    44. 1h-benzimidazole-7-carboxylicacid,1-[(2 Inverted Exclamation Mark -cyano[1,1 Inverted Exclamation Mark -biphenyl]-4-yl)methyl]-2-ethoxy-,methyl Ester

    45. Methyl 1-((2\'-cyano-[1,1\'-biphenyl]-4-yl)methyl)-2-ethoxy-1h-benzo[d]imidazole-7-carboxylate

    46. Methyl1-((2'-cyano-[1,1'-biphenyl]-4-yl)methyl)-2-ethoxy-1h-benzo[d]imidazole-7-carboxylate

    2.3 Create Date
    2007-02-12
    3 Chemical and Physical Properties
    Molecular Weight 411.5 g/mol
    Molecular Formula C25H21N3O3
    XLogP34.9
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count7
    Exact Mass411.15829154 g/mol
    Monoisotopic Mass411.15829154 g/mol
    Topological Polar Surface Area77.1 Ų
    Heavy Atom Count31
    Formal Charge0
    Complexity654
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1