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2D Structure
Also known as: 164648-60-6, 1h-benzimidazole-5-methanamine, (1h-benzo[d]imidazol-6-yl)methanamine, (1h-benzimidazol-5-ylmethyl)amine, 1h-1,3-benzodiazol-6-ylmethanamine, C-(3h-benzoimidazol-5-yl)-methylamine
Molecular Formula
C8H9N3
Molecular Weight
147.18  g/mol
InChI Key
WHYXSYWCALWOKX-UHFFFAOYSA-N

1 2D Structure

2D Structure

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-benzimidazole-5-methanamine

3. (1h-benzo[d]imidazol-6-yl)methanamine

4. (1h-benzimidazol-5-ylmethyl)amine

5. 1h-1,3-benzodiazol-6-ylmethanamine

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

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

8. Schembl1050653

9. 1h-benzimidazol-6-ylmethylamine

10. Chembl4556371

11. Albb-027923

12. 3h-1,3-benzodiazol-5-ylmethanamine

13. Mfcd09754158

14. Stl433264

15. Zinc19737029

16. 1-(1h-benzimidazol-5-yl)methanamine

17. Akos005264538

18. Akos016344236

19. Ab51535

20. Vs-0226

21. (1h-1,3-benzodiazol-6-yl)methanamine

22. Bb 0251943

23. Bb 0259543

24. Cs-0111667

25. D77009

26. 1-(1h-1,3-benzodiazol-5-yl)methanamine

27. 1-(1h-benzimidazol-5-yl)methanamine Dihydrochloride

28. F2158-0290

29. F8880-3825

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 147.18 g/mol
Molecular Formula C8H9N3
XLogP30.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass147.079647300 g/mol
Monoisotopic Mass147.079647300 g/mol
Topological Polar Surface Area54.7 Ų
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