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Chemistry

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Also known as: 14255-87-9, Helmatac, Methyl (5-butyl-1h-benzo[d]imidazol-2-yl)carbamate, Worm guard, Verminum, Skf 29044

Molecular Formula

C₁₃H₁₇N₃O₂

Molecular Weight

247.29 g/mol

InChI Key

YRWLZFXJFBZBEY-UHFFFAOYSA-N

FDA UNII

N4X8WVX2UG

1 2D Structure

Parbendazole

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

methyl N-(6-butyl-1H-benzimidazol-2-yl)carbamate

2.1.2 InChI

InChI=1S/C13H17N3O2/c1-3-4-5-9-6-7-10-11(8-9)15-12(14-10)16-13(17)18-2/h6-8H,3-5H2,1-2H3,(H2,14,15,16,17)

2.1.3 InChI Key

YRWLZFXJFBZBEY-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCCC1=CC2=C(C=C1)N=C(N2)NC(=O)OC

2.2 Other Identifiers

2.2.1 UNII

N4X8WVX2UG

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Helmatac

2. Methyl 5-butyl-2-benzimidazolecarbamate

3. Parbendazole, 2-(14)c-labeled Cpd Di-hcl

4. Skf 29044

5. Skf-29044

2.3.2 Depositor-Supplied Synonyms

1. 14255-87-9

2. Helmatac

3. Methyl (5-butyl-1h-benzo[d]imidazol-2-yl)carbamate

4. Worm Guard

5. Verminum

6. Skf 29044

7. Helatac

8. Pbdz

9. Sk&f 29044

10. Methyl 5-butyl-2-benzimidazolecarbamate

11. Tcmdc-131798

12. Carbamic Acid, (5-butyl-1h-benzimidazol-2-yl)-, Methyl Ester

13. Methyl N-(6-butyl-1h-benzimidazol-2-yl)carbamate

14. Parbendazole Free Base

15. 5-butyl-2-(carbomethoxyamino)benzimidazole

16. N4x8wvx2ug

17. 5-butyl-2-benzimidazolecarbamic Acid Methyl Ester

18. Nsc-256420

19. 14255-87-9 (free Base)

20. Ncgc00016706-01

21. Parbendazol

22. Cas-14255-87-9

23. Methyl (5-butyl-1h-benzimidazol-2-yl)carbamate

24. Dsstox_cid_25410

25. Dsstox_rid_80861

26. Dsstox_gsid_45410

27. Methyl 5-butyl-1h-benzo[d]imidazol-2-ylcarbamate

28. Methyl ~{n}-(5-butyl-1~{h}-benzimidazol-2-yl)carbamate

29. Parbendazolum

30. N-(6-butyl-1h-benzimidazol-2-yl)carbamic Acid Methyl Ester

31. Parbendazol [inn-spanish]

32. Parbendazolum [inn-latin]

33. Einecs 238-133-3

34. Unii-n4x8wvx2ug

35. Skf-29044

36. Parbendazole [usan:inn:ban]

37. 2-benzimidazolecarbamic Acid, 5-butyl-, Methyl Ester

38. (4-butyl-1h-benzimidazol-2-yl)-carbamic Acid Methyl Ester

39. N-(butyl-5, Benzimidazolyl)-2, Carbamate De Methyle [french]

40. Methyl 5(6)-butyl-2-benzimidazolecarbamate

41. Prestwick0_001110

42. Prestwick1_001110

43. Prestwick2_001110

44. Prestwick3_001110

45. Parbendazole [mi]

46. Parbendazole (usan/inn)

47. Parbendazole [inn]

48. Parbendazole [usan]

49. Bspbio_001220

50. Parbendazole [usp-rs]

51. Schembl259455

52. Spbio_003090

53. Bpbio1_001342

54. Chembl528271

55. N-(butyl-5, Benzimidazolyl)-2, Carbamate De Methyle

56. Dtxsid0045410

57. Chebi:94267

58. Hms1571m22

59. Hms2098m22

60. Hms3715m22

61. Amy13606

62. Zinc5424253

63. Tox21_110571

64. Mfcd00864534

65. Nsc256420

66. S2444

67. Wln: T56 Bm Dnj Cmvo1 G4

68. Akos015898352

69. Akos015967508

70. Tox21_110571_1

71. 2h-benzimidazole, Carbamic Acid Deriv.

72. Ac-1936

73. Ccg-221110

74. Nsc 256420

75. Sk&f-29044

76. Methyl 5-butylbenzimidazole-2-carbamate

77. Ncgc00016706-02

78. Ncgc00016706-03

79. Ncgc00016706-04

80. Ncgc00016706-05

81. Ncgc00016706-07

82. As-68370

83. 2-carbomethoxyamino-5-n-butylbenzimidazole

84. Hy-115364

85. Ab00514054

86. Cs-0035171

87. Ft-0630413

88. Methyl 5-butyl-1h-benzimidazol-2-ylcarbamate

89. D05365

90. F18423

91. Parbendazole, Vetranal(tm), Analytical Standard

92. 255p879

93. A885179

94. Methyl N-(5-butyl-1h-benzimidazol-2-yl)carbamate

95. Sr-01000872691

96. (5-butyl-2-benzimidazole)carbamic Acid Methyl Ester

97. Methyl (6-butyl-1h-benzo[d]imidazol-2-yl)carbamate

98. Sr-01000872691-1

99. 4-(tert-butoxycarbonyl)thiomorpholine-3-carboxylicacid

100. Brd-k02407574-001-03-0

101. Brd-k02407574-001-04-8

102. Brd-k02407574-001-06-3

103. Q27166068

104. Methyl N-(5-butyl-1h-1,3-benzodiazol-2-yl)carbamate

105. Parbendazole, United States Pharmacopeia (usp) Reference Standard

106. Carbamic Acid, N-(6-butyl-1h-benzimidazol-2-yl)-, Methyl Ester

107. H1c

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₁₇N₃O₂
Molecular Weight	247.29 g/mol
XLogP3	3.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	247.132076794 g/mol
Monoisotopic Mass	247.132076794 g/mol
Topological Polar Surface Area	67 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	285
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

Antinematodal Agents

Substances used in the treatment or control of nematode infestations. They are used also in veterinary practice. (See all compounds classified as Antinematodal Agents.)

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