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    CAS 139481-41-7

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 139481-41-7, Ethyl 2-ethoxy-1-[(2'-cyanobiphenyl-4-yl)methyl]-1h-benzimidazole-7-carboxylate, Ethyl-2-ethoxy-1-[[(2'-cyanobiphenyl-4-yl) methyl] benzimidazole]-7-carboxylate, Ethyl 3-[[4-(2-cyanophenyl)phenyl]methyl]-2-ethoxybenzimidazole-4-carboxylate, Ethyl 2-ethoxy-1-[[(2'-cyanobiphenyl-4-yl)methyl]benzimidazole]-7-carboxylate, Ethyl 1-[(2'-cyanobiphenyl-4-yl)methyl]-2-ethoxybenzimidazole-7-carboxylate
    Molecular Formula
    C26H23N3O3
    Molecular Weight
    425.5  g/mol
    InChI Key
    GYTTUVXCCHRIBA-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    ethyl 3-[[4-(2-cyanophenyl)phenyl]methyl]-2-ethoxybenzimidazole-4-carboxylate
    2.1.2 InChI
    InChI=1S/C26H23N3O3/c1-3-31-25(30)22-10-7-11-23-24(22)29(26(28-23)32-4-2)17-18-12-14-19(15-13-18)21-9-6-5-8-20(21)16-27/h5-15H,3-4,17H2,1-2H3
    2.1.3 InChI Key
    GYTTUVXCCHRIBA-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C#N)C(=O)OCC
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 139481-41-7

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

    3. Ethyl-2-ethoxy-1-[[(2'-cyanobiphenyl-4-yl) Methyl] Benzimidazole]-7-carboxylate

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

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

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

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

    8. Candesartan Intermediates

    9. Ethyl -2-ethoxy-1-[[(2 Inverted Exclamation Marka-cyanobiphenyl-4-yl) Methyl] Benzimidazole] -7-carboxylate

    10. Schembl848507

    11. Dtxsid80572750

    12. Bcp07077

    13. Mfcd09030636

    14. Zinc21989286

    15. Akos015896141

    16. Am84368

    17. Ds-0460

    18. Ethyl 1-((2'-cyanobiphenyl-4-yl)methyl)-2-ethoxy-1h-benzo[d]imidazole-7-carboxylate

    19. Ac-26326

    20. Cs-0151805

    21. Ft-0648291

    22. 4-chlorophenylphenylphosphoramidochloridate

    23. A807543

    24. Ethyl 1-[(2'-cyanobiphenyl-4-yl)methyl]-2-ethoxybenzimidazole7-carboxylate

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

    26. Ethyl 1-[(2'-cyano-[1,1'-biphenyl]-4-yl)methyl]-2-ethoxy-1h-benzoimidazole-7-carboxylate

    27. Ethyl 1-[(2'-cyano-4-biphenylyl)methyl]-2-ethoxy-1h-benzimidazole-7-carboxylate

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

    29. Ethyl 2-ethoxy-1-[[(2`-cyanobiphenyl-4-yl)methyl]benzimidazole]-7-carboxylate

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

    31. 1h-benzimidazole-7-carboxylic Acid,1-((2'-cyano(1,1'-biphenyl)-4-yl)methyl)-2-ethoxy-ethylester

    32. 1h-benzimidazole-7-carboxylic Acid,1-((2-cyano(1,1-biphenyl)-4-yl)methyl)-2-ethoxy-ethylester

    33. 1h-benzimidazole-7-carboxylicacid,1-[(2 Inverted Exclamation Mark -cyano[1,1 Inverted Exclamation Mark -biphenyl]-4-yl)methyl]-2-ethoxy-,ethyl Este

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

    35. Ethyl 1-({2'-cyano-[1,1'-biphenyl]-4-yl}methyl)-2-ethoxy-1h-1,3-benzodiazole-7-carboxylate

    36. Ethyl 3-[[4-(2-cyanophenyl)phenyl]methyl]-2-ethoxy-benzimidazole-4-carboxylate;ethyl 1-((2'-cyano-[1,1'-biphenyl]-4-yl)methyl)-2-ethoxy-1h-benzo[d]imidazole-7-carboxylate

    37. Ethyl1-((2'-cyano-[1,1'-biphenyl]-4-yl)methyl)-2-ethoxy-1h-benzo[d]imidazole-7-carboxylate

    2.3 Create Date
    2007-02-09
    3 Chemical and Physical Properties
    Molecular Weight 425.5 g/mol
    Molecular Formula C26H23N3O3
    XLogP35.3
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count8
    Exact Mass425.17394160 g/mol
    Monoisotopic Mass425.17394160 g/mol
    Topological Polar Surface Area77.1 Ų
    Heavy Atom Count32
    Formal Charge0
    Complexity669
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1