Imidazole Acetic Acid

Synopsis, Chemistry

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Also known as: Imidazole-4-acetic acid, 645-65-8, 2-(1h-imidazol-5-yl)acetic acid, 1h-imidazole-4-acetic acid, 4(5)-imidazoleacetate, Imidazolyl-4-acetic acid

Molecular Formula

C₅H₆N₂O₂

Molecular Weight

126.11 g/mol

InChI Key

PRJKNHOMHKJCEJ-UHFFFAOYSA-N

FDA UNII

IGZ30Z24EJ

1 2D Structure

Imidazole Acetic Acid

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(1H-imidazol-5-yl)acetic acid

2.1.2 InChI

InChI=1S/C5H6N2O2/c8-5(9)1-4-2-6-3-7-4/h2-3H,1H2,(H,6,7)(H,8,9)

2.1.3 InChI Key

PRJKNHOMHKJCEJ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=C(NC=N1)CC(=O)O

2.2 Other Identifiers

2.2.1 UNII

IGZ30Z24EJ

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Imac

2. Imidazole-4-acetic Acid

3. Imidazole-4-acetic Acid Hydrochloride

4. Imidazole-4-acetic Acid, Sodium Salt

5. Imidazolyl-4-acetic Acid

2.3.2 Depositor-Supplied Synonyms

1. Imidazole-4-acetic Acid

2. 645-65-8

3. 2-(1h-imidazol-5-yl)acetic Acid

4. 1h-imidazole-4-acetic Acid

5. 4(5)-imidazoleacetate

6. Imidazolyl-4-acetic Acid

7. 2-(1h-imidazol-4-yl)acetic Acid

8. 4-imidazoleacetic Acid

9. 4-imidazoleacetate

10. Imidazol-4-ylacetic Acid

11. Imidazole-4-acetate

12. Imac

13. (1h-imidazol-4-yl)-acetic Acid

14. 1h-imidazol-4-ylacetic Acid

15. Imidazole Acetic Acid

16. Chebi:16974

17. Imidazole-5-acetic Acid

18. Lopac-i-0375

19. Chembl784

20. Igz30z24ej

21. Nsc-60104

22. Izc

23. Imidazole-4-aceticacid

24. Unii-igz30z24ej

25. 1h-imidazole-5-acetic Acid

26. Imidazoleacetic Acid (van)

27. Nsc 60104

28. Imidazole-4acetic Acid

29. Spectrum_001878

30. Specplus_000672

31. Schembl49

32. Imidazol-5-ylacetic Acid

33. Biomol-nt_000244

34. Lopac0_000609

35. 1h-imidazol-5-ylacetic Acid

36. Kbioss_002404

37. Divk1c_006768

38. Bpbio1_000793

39. 1h-imidazol-4-ylacetic Acid #

40. Bdbm85712

41. Chebi:70804

42. Kbio1_001712

43. Kbio2_002399

44. Kbio2_004967

45. Kbio2_007535

46. Dtxsid50214751

47. (3h-imidazol-4-yl)-acetic Acid

48. 2-(1h-imidazol-5-yl)aceticacid

49. (imidazol-4-yl)acetic Acid

50. Act06174

51. Amy39839

52. Nsc60104

53. 2-(1h-imidazole-5-yl)acetic Acid

54. Bdbm50026410

55. Mfcd01570463

56. Nsc_96215

57. Pdsp1_000242

58. Pdsp2_000241

59. Zinc19735138

60. Akos005264531

61. Akos015854537

62. Ccg-204698

63. Sdccgsbi-0050591.p003

64. Ncgc00015544-01

65. Ncgc00015544-02

66. Ncgc00015544-03

67. Ncgc00015544-04

68. Ncgc00015544-05

69. Ncgc00015544-06

70. Ncgc00162202-01

71. Ncgc00162202-02

72. Ncgc00162202-03

73. Cas_645-65-8

74. Ts-01654

75. Db-073513

76. Hy-113413

77. Bb 0259915

78. Cs-0059400

79. Ft-0660552

80. C02835

81. C16158

82. 645i658

83. A835408

84. A846463

85. C2367a7f-efbf-4ace-a441-496e7f6b49fd

86. Q27891434

87. (1h-imidazol-4-yl)acetic Acid;imidazole-4-acetic Acid;2-(1h-imidazol-5-yl)acetic Acid

2.4 Create Date

2004-09-16

3 Chemical and Physical Properties

Molecular Formula	C₅H₆N₂O₂
Molecular Weight	126.11 g/mol
XLogP3	-0.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	126.042927438 g/mol
Monoisotopic Mass	126.042927438 g/mol
Topological Polar Surface Area	66 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	116
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