CAS 2466-76-4

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Also known as: 1-acetylimidazole, 2466-76-4, 1-(1h-imidazol-1-yl)ethanone, 1h-imidazole, 1-acetyl-, Acetylimidazole, 1-acetyl-1h-imidazole

Molecular Formula

C₅H₆N₂O

Molecular Weight

110.11 g/mol

InChI Key

VIHYIVKEECZGOU-UHFFFAOYSA-N

FDA UNII

ZMP8X1Y11G

1 2D Structure

CAS 2466-76-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-imidazol-1-ylethanone

2.1.2 InChI

InChI=1S/C5H6N2O/c1-5(8)7-3-2-6-4-7/h2-4H,1H3

2.1.3 InChI Key

VIHYIVKEECZGOU-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(=O)N1C=CN=C1

2.2 Other Identifiers

2.2.1 UNII

ZMP8X1Y11G

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Acetylimidazole

2.3.2 Depositor-Supplied Synonyms

1. 1-acetylimidazole

2. 2466-76-4

3. 1-(1h-imidazol-1-yl)ethanone

4. 1h-imidazole, 1-acetyl-

5. Acetylimidazole

6. 1-acetyl-1h-imidazole

7. 1-imidazol-1-ylethanone

8. Imidazole, 1-acetyl-

9. 3-acetylimidazole

10. 1-(1h-imidazol-1-yl)ethan-1-one

11. Ethanone, 1-(1h-imidazol-1-yl)-

12. Zmp8x1y11g

13. Chebi:16984

14. Ccris 6534

15. Einecs 219-577-7

16. Unii-zmp8x1y11g

17. Brn 0108425

18. N-acetyl Imidazole

19. 1- Acetylimidazole

20. 1-acetyl Imidazole

21. Mfcd00005287

22. 1-acetylimidazole, 98%

23. Imidazole N-1 Deriv. 5

24. Ozagrel Impurity 1

25. 1-acetyl-1h-imidazole #

26. 1-(methylcarbonyl)imidazole

27. Schembl26238

28. 5-23-04-00218 (beilstein Handbook Reference)

29. Mls001074864

30. Bdbm7944

31. Chembl1592087

32. Dtxsid8062440

33. Hms2234i07

34. Zinc388370

35. Act07679

36. Akos005208084

37. Ac-7521

38. Ncgc00246992-01

39. As-11932

40. Smr000568396

41. Db-031677

42. A0694

43. Am20090278

44. Cs-0010103

45. Ft-0629821

46. C02560

47. 1-(1h-imidazol-1-yl)ethanone;n-acetylimidazole

48. 1-acetylimidazole, Vetec(tm) Reagent Grade, 98%

49. 466a764

50. 1,1-[but-2-yne-1,4-diylbis(oxy)]bispropan-2-ol

51. Q-102345

52. Q27102162

2.4 Create Date

2004-09-16

3 Chemical and Physical Properties

Molecular Formula	C₅H₆N₂O
Molecular Weight	110.11 g/mol
XLogP3	-0.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	110.048012819 g/mol
Monoisotopic Mass	110.048012819 g/mol
Topological Polar Surface Area	34.9 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	103
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