CAS 62780-89-6

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7 End Use APIs
14 Related Intermediates

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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

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 Formula	C₁₀H₁₁ClN₂O
Molecular Weight	210.66 g/mol
XLogP3	1.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	210.0559907 g/mol
Monoisotopic Mass	210.0559907 g/mol
Topological Polar Surface Area	32.3 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	222
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