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2D Structure
Also known as: 5-chlorobenzimidazole, 4887-82-5, 6-chloro-1h-benzimidazole, 6-chloro-1h-benzo[d]imidazole, 5-chloro-1h-benzo[d]imidazole, 1h-benzimidazole, 5-chloro-
Molecular Formula
C7H5ClN2
Molecular Weight
152.58  g/mol
InChI Key
NKLOLMQJDLMZRE-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
6-chloro-1H-benzimidazole
2.1.2 InChI
InChI=1S/C7H5ClN2/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4H,(H,9,10)
2.1.3 InChI Key
NKLOLMQJDLMZRE-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC2=C(C=C1Cl)NC=N2
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 5-chlorobenzimidazole

2. 4887-82-5

3. 6-chloro-1h-benzimidazole

4. 6-chloro-1h-benzo[d]imidazole

5. 5-chloro-1h-benzo[d]imidazole

6. 1h-benzimidazole, 5-chloro-

7. Chembl69098

8. Mfcd00059698

9. 5-chloro-1h-1,3-benzodiazole

10. 3kqw

11. Nsc3059

12. Einecs 225-503-4

13. 6-chloro-1 H-benzimidazole

14. 5-chlorobenzimidazole, 96%

15. 5-chloro-1h-benzimidazole #

16. Schembl1445052

17. 6-chloro-1h-1,3-benzodiazole

18. Dtxsid20197623

19. Act08247

20. Albb-024654

21. Amy10738

22. Nsc 3059

23. Nsc-3059

24. Zinc5425423

25. Bdbm50404928

26. Stl388902

27. Akos000297100

28. Akos000298837

29. Mb04649

30. Ncgc00184566-01

31. Ncgc00184566-02

32. Ncgc00184566-03

33. Ncgc00184566-04

34. Ds-10121

35. Sy050745

36. Cs-0035816

37. Ft-0620309

38. A18809

39. W-202867

40. Q27460054

41. Es9

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 152.58 g/mol
Molecular Formula C7H5ClN2
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass152.0141259 g/mol
Monoisotopic Mass152.0141259 g/mol
Topological Polar Surface Area28.7 Ų
Heavy Atom Count10
Formal Charge0
Complexity129
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1