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Also known as: 22884-10-2, Imidazol-1-yl-acetic acid, 1h-imidazole-1-acetic acid, 1h-imidazol-1-ylacetic acid, Imidazole-1-acetic acid, 2-imidazol-1-ylacetic acid
Molecular Formula
C5H6N2O2
Molecular Weight
126.11  g/mol
InChI Key
QAFBDRSXXHEXGB-UHFFFAOYSA-N
FDA UNII
WHC1J1G932

CAS 22884-10-2
1 2D Structure

CAS 22884-10-2

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-imidazol-1-ylacetic acid
2.1.2 InChI
InChI=1S/C5H6N2O2/c8-5(9)3-7-2-1-6-4-7/h1-2,4H,3H2,(H,8,9)
2.1.3 InChI Key
QAFBDRSXXHEXGB-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CN(C=N1)CC(=O)O
2.2 Other Identifiers
2.2.1 UNII
WHC1J1G932
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 22884-10-2

2. Imidazol-1-yl-acetic Acid

3. 1h-imidazole-1-acetic Acid

4. 1h-imidazol-1-ylacetic Acid

5. Imidazole-1-acetic Acid

6. 2-imidazol-1-ylacetic Acid

7. Imidazol-1-ylacetic Acid

8. (1-imidazolyl)acetic Acid

9. 1-imidazoleacetic Acid

10. Imidazol-1-yl Acetic Acid

11. 1-imidazolylacetic Acid

12. Zoledronic Acid Related Compound A

13. Chebi:70801

14. Mfcd01721800

15. 2-(1-imidazolyl)acetic Acid

16. 2-(imidazol-1-yl)acetic Acid

17. Chembl297390

18. Whc1j1g932

19. (1h-imidazol-1-yl)acetic Acid

20. [1h-imidazol-1-yl]acetic Acid

21. 1-(carboxymethyl)imidazole

22. Unii-whc1j1g932

23. Zoledronic Acid Related Compound A Rs [usp]

24. Imidazole-1-yl-acetic Acid

25. 1h-imidazolylacetic Acid Hcl

26. Schembl77978

27. 2-(n-imidazolyl)acetic Acid

28. Mls000074022

29. 1h-imidazole-1-ylacetic Acid

30. Qafbdrsxxhexgb-uhfffaoysa-

31. 2-(imidazole-1-yl)-acetic Acid

32. Dtxsid20177425

33. Hms1684c18

34. Hms2349e08

35. 2-(1h-imidazol-1-yl)aceticacid

36. 2-(3h-imidazol-4-yl)acetic Acid

37. Albb-000273

38. Bbl001468

39. Bdbm50026406

40. Stk260846

41. Zinc19735340

42. Akos000137844

43. Ab09874

44. Cs-w011164

45. Hy-w010448

46. Rs-0402

47. 2-imidazol-1-ylacetic Acid,hydrochloride

48. 1h-imidazol-1-ylacetic Acid, Aldrichcpr

49. Ac-20545

50. Bp-11530

51. Smr000013538

52. Sy003214

53. 3-(carboxylatomethyl)-1h-imidazole-3-ium

54. Db-019366

55. Am20090233

56. Bb 0240486

57. Ft-0638263

58. Ft-0670304

59. I0670

60. Ec-000.1971

61. A24846

62. Ab00419076-07

63. Ab00419076-09

64. 884i102

65. J-014887

66. J-521520

67. Zoledronic Acid Related Compound A [usp-rs]

68. Q27139105

69. Z57396183

70. F8881-7832

71. Zoledronic Acid Related Compound A [usp Impurity]

72. Imidazol-1-yl-essigsaeure, 1h-imidazole-1-acetic Acid, Imidazole-1-acetic Acid

2.3.2 Other Synonyms

1. 22884-10-2

2. Imidazole-1-yl-acetic Acid

2.4 Create Date
2005-06-04
3 Chemical and Physical Properties
Molecular Weight 126.11 g/mol
Molecular Formula C5H6N2O2
XLogP3-0.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass126.042927438 g/mol
Monoisotopic Mass126.042927438 g/mol
Topological Polar Surface Area55.1 Ų
Heavy Atom Count9
Formal Charge0
Complexity116
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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