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    CAS 144689-93-0

    BUILDING BLOCK

    MARKET PLACE

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 144689-93-0, Ethyl 4-(1-hydroxy-1-methylethyl)-2-propylimidazole-5-carboxylate, 4-(1-hydroxy-1-methylethyl)-2-propyl-1h-imidazole-5-carboxylic acid ethyl ester, Ethyl 4-(2-hydroxypropan-2-yl)-2-propyl-1h-imidazole-5-carboxylate, Ethyl 5-(2-hydroxypropan-2-yl)-2-propyl-1h-imidazole-4-carboxylate, Ethyl 4-(1-hydroxy-1-methylethyl)-2-propyl-1h-imidazole-5-carboxylate
    Molecular Formula
    C12H20N2O3
    Molecular Weight
    240.30  g/mol
    InChI Key
    KZBJJAFGNMRRHN-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    ethyl 5-(2-hydroxypropan-2-yl)-2-propyl-1H-imidazole-4-carboxylate
    2.1.2 InChI
    InChI=1S/C12H20N2O3/c1-5-7-8-13-9(11(15)17-6-2)10(14-8)12(3,4)16/h16H,5-7H2,1-4H3,(H,13,14)
    2.1.3 InChI Key
    KZBJJAFGNMRRHN-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCCC1=NC(=C(N1)C(C)(C)O)C(=O)OCC
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 144689-93-0

    2. Ethyl 4-(1-hydroxy-1-methylethyl)-2-propylimidazole-5-carboxylate

    3. 4-(1-hydroxy-1-methylethyl)-2-propyl-1h-imidazole-5-carboxylic Acid Ethyl Ester

    4. Ethyl 4-(2-hydroxypropan-2-yl)-2-propyl-1h-imidazole-5-carboxylate

    5. Ethyl 5-(2-hydroxypropan-2-yl)-2-propyl-1h-imidazole-4-carboxylate

    6. Ethyl 4-(1-hydroxy-1-methylethyl)-2-propyl-1h-imidazole-5-carboxylate

    7. 1h-imidazole-4-carboxylic Acid,5-(1-hydroxy-1-methylethyl)-2-propyl-,ethyl Ester

    8. Mfcd07787565

    9. Ethyl 4-(2-hydroxy-2-propyl)-2-propyl-1h-imidazole-5-carboxylate

    10. Ec 604-434-7

    11. Schembl987234

    12. Dtxsid40441791

    13. Bcp12023

    14. Zinc21298029

    15. Akos015856335

    16. Am84409

    17. Ds-0283

    18. Ex-a3316-3

    19. 1h-imidazole-5-carboxylic Acid, 4-(1-hydroxy-1-methylethyl)-2-propyl-, Ethyl Ester

    20. Sy021273

    21. Cs-0131776

    22. E0976

    23. Ft-0647781

    24. 689h930

    25. A808262

    26. Q-200401

    27. Ethyl 5-(2-hydroxy-2-propanyl)-2-propyl-1h-imidazole-4-carboxylate

    28. Ethyl-4-(1-hydroxy-1-methylethyl)-2-propylimidazole-5-carboxylate

    29. Ethyl4-(1-hydroxy-1-methylethyl)-2-propylimidazole-5-carboxylate

    30. 2-propyl-4-(1-hydroxy-1-methylethyl)-1h-imidazole-5-carboxylic Acid Ethyl Ester

    31. 2-propyl-5-(1-hydroxy-1-methylethyl)-3h-imidazole-4-carboxylic Acid Ethyl Ester

    32. 4-(1-hydroxy-1-methylethyl)-2-propyl Imidazol-5-carboxylic Acid Ethyl Ester

    33. 4-(2-hydroxy-2-propyl)-2-propyl-1h-imidazole-5-carboxylic Acid Ethyl Ester

    34. 5-(1-hydroxy-1-methyl-ethyl)-2-propyl-1h-imidazole-4-carboxylic Acid Ethyl Ester

    35. Olmesartan Impurity (ethyl 4-(1-hydroxy-1-methylethyl)-2- Propyl-imidazole-5-carboxylate)

    36. 3-ethyl-5-(1-hydroxy-1-methyl-ethyl)-2-propyl-imidazole-4-carboxylate;olmesartan Impurity 2

    2.3 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 240.30 g/mol
    Molecular Formula C12H20N2O3
    XLogP31.5
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count6
    Exact Mass240.14739250 g/mol
    Monoisotopic Mass240.14739250 g/mol
    Topological Polar Surface Area75.2 Ų
    Heavy Atom Count17
    Formal Charge0
    Complexity269
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1