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CAS 51-17-2

Chemistry

Chemistry

Manufacturers/Suppliers

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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

CAS 51-17-2

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 Formula	C₇H₆N₂
Molecular Weight	118.14 g/mol
XLogP3	1.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	118.053098200 g/mol
Monoisotopic Mass	118.053098200 g/mol
Topological Polar Surface Area	28.7 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	103
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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