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    CAS 147403-52-9

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 147403-52-9, Azilsartan methyl ester, 1-[[2'-(2,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl)[1,1'-biphenyl]-4-yl]methyl]-2-ethoxy-1h-benzimidazole-7-carboxylic acid methyl ester, Methyl 2-ethoxy-3-[[4-[2-(5-oxo-2h-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate, 1-((2'-(2,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl)(1,1'-biphenyl)-4-yl)methyl)-2-ethoxy-1h-benzimidazole-7-carboxylic acid methyl ester, 1h-benzimidazole-7-carboxylic acid, 1-[[2/'-(2,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl)[1,1/'-biphenyl]
    Molecular Formula
    C26H22N4O5
    Molecular Weight
    470.5  g/mol
    InChI Key
    PCMXVTVLQVGYLX-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    methyl 2-ethoxy-3-[[4-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate
    2.1.2 InChI
    InChI=1S/C26H22N4O5/c1-3-34-25-27-21-10-6-9-20(24(31)33-2)22(21)30(25)15-16-11-13-17(14-12-16)18-7-4-5-8-19(18)23-28-26(32)35-29-23/h4-14H,3,15H2,1-2H3,(H,28,29,32)
    2.1.3 InChI Key
    PCMXVTVLQVGYLX-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NOC(=O)N5)C(=O)OC
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 147403-52-9

    2. Azilsartan Methyl Ester

    3. 1-[[2'-(2,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl)[1,1'-biphenyl]-4-yl]methyl]-2-ethoxy-1h-benzimidazole-7-carboxylic Acid Methyl Ester

    4. Methyl 2-ethoxy-3-[[4-[2-(5-oxo-2h-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate

    5. 1-((2'-(2,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl)(1,1'-biphenyl)-4-yl)methyl)-2-ethoxy-1h-benzimidazole-7-carboxylic Acid Methyl Ester

    6. 1h-benzimidazole-7-carboxylic Acid, 1-[[2/'-(2,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl)[1,1/'-biphenyl]

    7. Ec 692-146-2

    8. Schembl965217

    9. Chembl341833

    10. Amy4362

    11. Dtxsid70570361

    12. Bcp12041

    13. Xfa40352

    14. Mfcd20527276

    15. Zinc13760707

    16. Akos025146636

    17. Ds-8623

    18. Ac-25907

    19. Methyl 2-ethoxy-1-((2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)-biphenyl-4-yl)methyl)-1h-benz-imidazole-7-carboxylate

    20. Methyl 2-ethoxy-1-{[2'-(5-oxo-2,5-dihydro-1,2,4-oxadiazol-3-yl)[1,1'-biphenyl]-4-yl]methyl}-1h-benzimidazole-7-carboxylate

    21. Cs-0008003

    22. Ft-0696489

    23. A848326

    24. 1h-benzimidazole-7-carboxylic Acid, 1-[[2'-(2,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl)[1,1'-biphenyl]-4-yl]methyl] -2-ethoxy-, Methyl Ester

    25. 1h-benzimidazole-7-carboxylic Acid, 1-[[2-(2,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl)[1,1-biphenyl]-4-yl]methyl]-2-ethoxy-, Methyl Ester

    26. 2-ethoxy-1-[[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazole-3-yl)-4-biphenylyl]methyl]-1h-benzoimidazole-7-carboxylic Acid Methyl Ester

    27. Methyl 2-ethoxy-1-[[2'-(2,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl]benzimidazole-7-carboxylate

    28. Methyl 2-ethoxy-3-[[4-[2-(5-oxo-4h-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate

    29. Methyl2-ethoxy-1-((2'-(5-oxo-2,5-dihydro-1,2,4-oxadiazol-3-yl)-[1,1'-biphenyl]-4-yl)methyl)-1h-benzo[d]imidazole-7-carboxylate

    2.3 Create Date
    2019-01-16
    3 Chemical and Physical Properties
    Molecular Weight 470.5 g/mol
    Molecular Formula C26H22N4O5
    XLogP34.7
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count8
    Exact Mass470.15901982 g/mol
    Monoisotopic Mass470.15901982 g/mol
    Topological Polar Surface Area104 Ų
    Heavy Atom Count35
    Formal Charge0
    Complexity799
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1