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1H-Benzimidazole-5-Methanamine
PharmaCompass
  • Chemistry
1H-Benzimidazole-5-Methanamine
Also known as: 164648-60-6, (1h-benzo[d]imidazol-5-yl)methanamine, 1h-benzimidazole-6-methanamine, (1h-benzimidazol-5-ylmethyl)amine, 1h-1,3-benzodiazol-6-ylmethanamine, 1h-benzimidazol-5-ylmethylamine
Molecular Formula
C8H9N3
Molecular Weight
147.181  g/mol
InChI Key
WHYXSYWCALWOKX-UHFFFAOYSA-N

1 2D Structure

1H-Benzimidazole-5-Methanamine

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3H-benzimidazol-5-ylmethanamine
2.1.2 InChI
InChI=1S/C8H9N3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-3,5H,4,9H2,(H,10,11)
2.1.3 InChI Key
WHYXSYWCALWOKX-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC2=C(C=C1CN)NC=N2
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 164648-60-6

2. (1h-benzo[d]imidazol-5-yl)methanamine

3. 1h-benzimidazole-6-methanamine

4. (1h-benzimidazol-5-ylmethyl)amine

5. 1h-1,3-benzodiazol-6-ylmethanamine

6. 1h-benzimidazol-5-ylmethylamine

7. Whyxsywcalwokx-uhfffaoysa-n

8. 3h-1,3-benzodiazol-5-ylmethanamine

9. C-(1h-benzoimidazol-5-yl)-methylamine

10. 1-(1h-1,3-benzodiazol-5-yl)methanamine

11. Benzimidazol-5-ylmethylamine

12. Schembl1050653

13. 1h-benzimidazol-6-ylmethylamine

14. Ctk0h4262

15. Ctk7e5216

16. Ellanovalabs 23-1105

17. Molport-004-752-398

18. Albb-027923

19. Zero/010836

20. Mfcd09754158

21. Sbb074309

22. Stl433264

23. Zinc19737029

24. 1-(1h-benzimidazol-5-yl)methanamine

25. Akos005264538

26. Akos016344236

27. (1h-benzo[d]imidazol-6-yl)methanamine

28. Ab51535

29. Acn-046047

30. (1h-1,3-benzodiazol-6-yl)methanamine

31. 1h-benzimidazole-5-ylmethylamine

32. C-(3h-benzoimidazol-5-yl)-methylamine

33. Aj-74749

34. Ak316422

35. Kb-154686

36. Bb 0251943

37. Bb 0259543

38. En300-85383

39. Y-6435

40. 1-(1h-benzimidazol-5-yl)methanamine Dihydrochloride

41. I14-41025

42. F2158-0290

43. F8880-3825

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 147.181 g/mol
Molecular Formula C8H9N3
XLogP30.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass147.08 g/mol
Monoisotopic Mass147.08 g/mol
Topological Polar Surface Area54.7 A^2
Heavy Atom Count11
Formal Charge0
Complexity137
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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