1H-Benzimidazole-5-methanamine

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-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 Formula	C₈H₉N₃
Molecular Weight	147.18 g/mol
XLogP3	0.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	147.079647300 g/mol
Monoisotopic Mass	147.079647300 g/mol
Topological Polar Surface Area	54.7 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	137
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

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1H-Benzimidazole-5-Methanamine

Chemistry

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