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Also known as: 62780-89-6, 1-(3-chloropropyl)-1h-benzo[d]imidazol-2(3h)-one, 3-(3-chloropropyl)-1h-benzimidazol-2-one, 1-(3-chloropropyl)-2-benzimidazolidinone, 3-(3-chloropropyl)-2,3-dihydro-1h-benzimidazole-2-one, Domperidone impurity
Molecular Formula
C10H11ClN2O
Molecular Weight
210.66  g/mol
InChI Key
GUMPYDGUYXOYML-UHFFFAOYSA-N

CAS 62780-89-6
1 2D Structure

CAS 62780-89-6

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-(3-chloropropyl)-1H-benzimidazol-2-one
2.1.2 InChI
InChI=1S/C10H11ClN2O/c11-6-3-7-13-9-5-2-1-4-8(9)12-10(13)14/h1-2,4-5H,3,6-7H2,(H,12,14)
2.1.3 InChI Key
GUMPYDGUYXOYML-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC=C2C(=C1)NC(=O)N2CCCCl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 62780-89-6

2. 1-(3-chloropropyl)-1h-benzo[d]imidazol-2(3h)-one

3. 3-(3-chloropropyl)-1h-benzimidazol-2-one

4. 1-(3-chloropropyl)-2-benzimidazolidinone

5. 3-(3-chloropropyl)-2,3-dihydro-1h-benzimidazole-2-one

6. Domperidone Impurity

7. Einecs 263-731-6

8. 1-(3-chloropropyl)-1,3-dihydro-2h-benzimidazole-2-one

9. Domperidone Impurity 1

10. Chemdiv2_000053

11. 1-(3-chloropropyl)-1,3-dihydrobenzimidazol-2-one

12. Schembl318787

13. Schembl8185591

14. 2h-benzimidazol-2-one,1-(3-chloropropyl)-1,3-dihydro-

15. Dtxsid90211845

16. Hms1369c09

17. N-(3-chloropropyl)-benzimidazolone

18. Albb-021291

19. Amy40874

20. Bcp34402

21. Zinc2168830

22. Bbl011730

23. Mfcd00044896

24. Stk802544

25. Akos000121336

26. Ac-3215

27. Bs-9881

28. Db-018506

29. Bb 0242378

30. Cs-0237003

31. Eu-0066726

32. Ft-0640851

33. 1-(3-chloropropyl)-1h-benzoimidazole-2(3h)-one

34. A868364

35. 1(3-chloropropyl)-1,3-dihydro-2h-benzimidazol-2-one

36. 1-(3-chloro Propyl)-2,3-dihydro-1h-benzimidazol-2-one

37. 1-(3-chloro-propyl)-1,3-dihydro-benzoimidaz Ol-2-one

38. 1-(3-chloropropyl)-1,3-dihydro-2-oxo-2h-benzimidazole

39. 1-(3-chloropropyl)-1,3-dihydro-2h-bezimidazol-2-one

40. 1-(3-choropropyl)-1,3-dihydro-2h-benzimidazol-2-one

41. 2h-benzimidazol-2-one, 1-(3-chloropropyl)-1,3-dihydro-

42. 1-(3-chloropropyl)-1,3-dihydro-2h-1,3-benzimidazol-2-one

43. 1-(3-chloropropyl)-1,3-dihydro-2h-benzimidazol-2-one, Aldrichcpr

2.3 Create Date
2005-07-12
3 Chemical and Physical Properties
Molecular Weight 210.66 g/mol
Molecular Formula C10H11ClN2O
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass210.0559907 g/mol
Monoisotopic Mass210.0559907 g/mol
Topological Polar Surface Area32.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity222
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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