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    CAS 22884-10-2

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 22884-10-2, Imidazol-1-yl-acetic acid, 1h-imidazole-1-acetic acid, 1h-imidazol-1-ylacetic acid, Imidazole-1-acetic acid, 2-imidazol-1-ylacetic acid
    Molecular Formula
    C5H6N2O2
    Molecular Weight
    126.11  g/mol
    InChI Key
    QAFBDRSXXHEXGB-UHFFFAOYSA-N
    FDA UNII
    WHC1J1G932
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-imidazol-1-ylacetic acid
    2.1.2 InChI
    InChI=1S/C5H6N2O2/c8-5(9)3-7-2-1-6-4-7/h1-2,4H,3H2,(H,8,9)
    2.1.3 InChI Key
    QAFBDRSXXHEXGB-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CN(C=N1)CC(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    WHC1J1G932
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 22884-10-2

    2. Imidazol-1-yl-acetic Acid

    3. 1h-imidazole-1-acetic Acid

    4. 1h-imidazol-1-ylacetic Acid

    5. Imidazole-1-acetic Acid

    6. 2-imidazol-1-ylacetic Acid

    7. Imidazol-1-ylacetic Acid

    8. (1-imidazolyl)acetic Acid

    9. 1-imidazoleacetic Acid

    10. Imidazol-1-yl Acetic Acid

    11. 1-imidazolylacetic Acid

    12. Zoledronic Acid Related Compound A

    13. Chebi:70801

    14. Mfcd01721800

    15. 2-(1-imidazolyl)acetic Acid

    16. 2-(imidazol-1-yl)acetic Acid

    17. Chembl297390

    18. Whc1j1g932

    19. (1h-imidazol-1-yl)acetic Acid

    20. [1h-imidazol-1-yl]acetic Acid

    21. 1-(carboxymethyl)imidazole

    22. Unii-whc1j1g932

    23. Zoledronic Acid Related Compound A Rs [usp]

    24. Imidazole-1-yl-acetic Acid

    25. 1h-imidazolylacetic Acid Hcl

    26. Schembl77978

    27. 2-(n-imidazolyl)acetic Acid

    28. Mls000074022

    29. 1h-imidazole-1-ylacetic Acid

    30. Qafbdrsxxhexgb-uhfffaoysa-

    31. 2-(imidazole-1-yl)-acetic Acid

    32. Dtxsid20177425

    33. Hms1684c18

    34. Hms2349e08

    35. 2-(1h-imidazol-1-yl)aceticacid

    36. 2-(3h-imidazol-4-yl)acetic Acid

    37. Albb-000273

    38. Bbl001468

    39. Bdbm50026406

    40. Stk260846

    41. Zinc19735340

    42. Akos000137844

    43. Ab09874

    44. Cs-w011164

    45. Hy-w010448

    46. Rs-0402

    47. 2-imidazol-1-ylacetic Acid,hydrochloride

    48. 1h-imidazol-1-ylacetic Acid, Aldrichcpr

    49. Ac-20545

    50. Bp-11530

    51. Smr000013538

    52. Sy003214

    53. 3-(carboxylatomethyl)-1h-imidazole-3-ium

    54. Db-019366

    55. Am20090233

    56. Bb 0240486

    57. Ft-0638263

    58. Ft-0670304

    59. I0670

    60. Ec-000.1971

    61. A24846

    62. Ab00419076-07

    63. Ab00419076-09

    64. 884i102

    65. J-014887

    66. J-521520

    67. Zoledronic Acid Related Compound A [usp-rs]

    68. Q27139105

    69. Z57396183

    70. F8881-7832

    71. Zoledronic Acid Related Compound A [usp Impurity]

    72. Imidazol-1-yl-essigsaeure, 1h-imidazole-1-acetic Acid, Imidazole-1-acetic Acid

    2.3.2 Other Synonyms

    1. 22884-10-2

    2. Imidazole-1-yl-acetic Acid

    2.4 Create Date
    2005-06-04
    3 Chemical and Physical Properties
    Molecular Weight 126.11 g/mol
    Molecular Formula C5H6N2O2
    XLogP3-0.3
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count2
    Exact Mass126.042927438 g/mol
    Monoisotopic Mass126.042927438 g/mol
    Topological Polar Surface Area55.1 Ų
    Heavy Atom Count9
    Formal Charge0
    Complexity116
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1