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    CAS-51-17-2

    BUILDING BLOCK

    PharmaCompass
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    2D Structure
    Also known as: 1h-benzimidazole, 51-17-2, 1h-benzo[d]imidazole, 1,3-benzodiazole, Benzoimidazole, O-benzimidazole
    Molecular Formula
    C7H6N2
    Molecular Weight
    118.14  g/mol
    InChI Key
    HYZJCKYKOHLVJF-UHFFFAOYSA-N
    FDA UNII
    E24GX49LD8
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1H-benzimidazole
    2.1.2 InChI
    InChI=1S/C7H6N2/c1-2-4-7-6(3-1)8-5-9-7/h1-5H,(H,8,9)
    2.1.3 InChI Key
    HYZJCKYKOHLVJF-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC=C2C(=C1)NC=N2
    2.2 Other Identifiers
    2.2.1 UNII
    E24GX49LD8
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Benzimidazole Monohydrochloride

    2. Benzimidazole Mononitrate

    2.3.2 Depositor-Supplied Synonyms

    1. 1h-benzimidazole

    2. 51-17-2

    3. 1h-benzo[d]imidazole

    4. 1,3-benzodiazole

    5. Benzoimidazole

    6. O-benzimidazole

    7. 3-azaindole

    8. Benziminazole

    9. Benzoglyoxaline

    10. Azindole

    11. 1h-benzoimidazole

    12. 1,3-diazaindene

    13. Benzimidazol

    14. N,n'-methenyl-o-phenylenediamine

    15. Nsc 759

    16. 1h-1,3-benzodiazole

    17. Bzi

    18. Chebi:41275

    19. Nsc-759

    20. Mfcd00005585

    21. 1h-benzimidazole, Homopolymer

    22. E24gx49ld8

    23. 26985-65-9

    24. Dsstox_cid_4573

    25. Benzimidazole Phase Betaetha

    26. Benzimidazole Phase Alphalpha

    27. Benzimidazole Phase Gammaamma

    28. Dsstox_rid_77454

    29. Dsstox_gsid_24573

    30. Cas-51-17-2

    31. Ccris 5967

    32. Hsdb 2797

    33. Einecs 200-081-4

    34. Bezimidazole

    35. Brn 0109682

    36. Unii-e24gx49ld8

    37. Benz-imidazole

    38. Hbzim

    39. Hbim

    40. Ai3-03737

    41. 1h-benzimidazol

    42. 4dsu

    43. Benzimidazole, 98%

    44. 1,3-benzodiazole, Bzi

    45. Benzimidazole [mi]

    46. Epitope Id:140095

    47. Schembl6009

    48. Schembl6010

    49. Benzimidazole [hsdb]

    50. Benzimidazole [inci]

    51. Wln: T56 Bm Dnj

    52. 5-23-06-00196 (beilstein Handbook Reference)

    53. Mls001066336

    54. Bdbm7939

    55. Chembl306226

    56. F3366-5347

    57. Nsc759

    58. Schembl5197771

    59. Dtxsid8024573

    60. Hms2233d03

    61. Hms3370l16

    62. Zinc331902

    63. Hy-y1825

    64. Tox21_202107

    65. Tox21_303321

    66. Stk397462

    67. Akos000119163

    68. Am81999

    69. Cs-w019944

    70. Db02962

    71. Ps-5765

    72. Ncgc00091255-01

    73. Ncgc00091255-02

    74. Ncgc00257173-01

    75. Ncgc00259656-01

    76. ((non-isotopelabelled)benzimidazole-13c6

    77. Smr000471839

    78. Sy012765

    79. Db-002016

    80. B0054

    81. Ft-0606545

    82. C02009

    83. D70829

    84. Q415190

    85. W-105914

    2.4 Create Date
    2004-09-16
    3 Chemical and Physical Properties
    Molecular Weight 118.14 g/mol
    Molecular Formula C7H6N2
    XLogP31.3
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count0
    Exact Mass118.053098200 g/mol
    Monoisotopic Mass118.053098200 g/mol
    Topological Polar Surface Area28.7 Ų
    Heavy Atom Count9
    Formal Charge0
    Complexity103
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Anthelmintics

    Agents that kill parasitic worms. They are used therapeutically in the treatment of HELMINTHIASIS in man and animal. (See all compounds classified as Anthelmintics.)

    4.2 Absorption, Distribution and Excretion

    Benzimidazoles have only limited solubility in water; consequently, minor differences in solubility tend to have a major effect on absorption. Thiabenzole is rapidly absorbed after oral ingestion ... Most of the drug is excreted in the urine ... as 5-hydroxythiabendazole ... . In contrast tablet forms of mebendazole are poorly and erratically absorbed ... And is extensively metabolized. ... Like mebendazole, albendazole is variably and erratically absorbed after oral administration, although its absorbtion may be increased when it is given with a fatty meal.

    Hardman, J.G., L.E. Limbird, P.B. Molinoff, R.W. Ruddon, A.G. Goodman (eds.). Goodman and Gilman's The Pharmacological Basis of Therapeutics. 9th ed. New York, NY: McGraw-Hill, 1996., p. 1013

    4.3 Metabolism/Metabolites

    5-HYDROXYBENZIMIDAZOLE IS A MAJOR URINARY METABOLITE OF BENZIMIDAZOLE IN RAT.

    TYLER TR ET AL; DRUG METAB DISPOS 4(2) 177-9 (1976)

    SIXTY DAYS AFTER TREATMENT WITH BENZIMIDAZOLE, MELON PLANTS CONTAINED METABOLITES 2-AMINOBENZONITRILE, O-PHENYLENEDIAMINE, ANILINE

    ROUCHAUD JP ET AL; PESTIC SCI 8(1) 31-4 (1977)

    Thiabendazole ... Is excreted in the urine as 5-hydroxythiabendazole, conjugated either as the glucuronide or as the sulfate. /Benzimidazoles/

    Hardman, J.G., L.E. Limbird, P.B. Molinoff, R.W. Ruddon, A.G. Goodman (eds.). Goodman and Gilman's The Pharmacological Basis of Therapeutics. 9th ed. New York, NY: McGraw-Hill, 1996., p. 1013

    4.4 Mechanism of Action

    Benzimidazole prevent tubulin polymerization or spindle movement and their administration can result in aneuploidy.

    Klaassen, C.D., M.O. Amdur, Doull J. (eds.). Casarett and Doull's Toxicology. The Basic Science of Poisons. 5th ed. New York, NY: McGraw-Hill, 1995., p. 253