CAS 3273-68-5

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Also known as: 3273-68-5, 4-(2-oxo-3h-benzimidazol-1-yl)butanoic acid, 2-oxo-1-benzimidazolinebutyric acid, 4-(2-oxo-2,3-dihydrobenzimidazol-1-yl)butyric acid, 1h-benzimidazole-1-butanoic acid, 2,3-dihydro-2-oxo, 1h-benzimidazole-1-butanoic acid, 2,3-dihydro-2-oxo-

Molecular Formula

C₁₁H₁₂N₂O₃

Molecular Weight

220.22 g/mol

InChI Key

PTNUQSFEJXMNOQ-UHFFFAOYSA-N

1 2D Structure

CAS 3273-68-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-(2-oxo-3H-benzimidazol-1-yl)butanoic acid

2.1.2 InChI

InChI=1S/C11H12N2O3/c14-10(15)6-3-7-13-9-5-2-1-4-8(9)12-11(13)16/h1-2,4-5H,3,6-7H2,(H,12,16)(H,14,15)

2.1.3 InChI Key

PTNUQSFEJXMNOQ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=C2C(=C1)NC(=O)N2CCCC(=O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 3273-68-5

2. 4-(2-oxo-3h-benzimidazol-1-yl)butanoic Acid

3. 2-oxo-1-benzimidazolinebutyric Acid

4. 4-(2-oxo-2,3-dihydrobenzimidazol-1-yl)butyric Acid

5. 1h-benzimidazole-1-butanoic Acid, 2,3-dihydro-2-oxo

6. 1h-benzimidazole-1-butanoic Acid, 2,3-dihydro-2-oxo-

7. 4-(2-oxo-2,3-dihydro-1h-1,3-benzodiazol-1-yl)butanoic Acid

8. Mfcd06656423

9. 4-(2-oxo-2,3-dihydro-1h-benzimidazol-1-yl)butanoic Acid

10. 1h-benzimidazole-1-butanoic Acid,2,3-dihydro-2-oxo

11. Buzolic Acid

12. Schembl97551

13. 1h-benzimidazole-1-butanoicacid, 2,3-dihydro-2-oxo-

14. Dtxsid90532082

15. 4-(2-oxo-2,3-dihydro-1h-benzo[d]imidazol-1-yl)butanoicacid

16. 4-(2-oxo-2,3-dihydro-1h-1,3-benzimidazol-1-yl)-butanoic Acid

17. Bcp18192

18. Cs-m2356

19. Zinc16698697

20. Akos005070096

21. Am90199

22. Pb12373

23. Sy033508

24. Db-014725

25. Ft-0673417

26. 1z-0605

27. A852625

28. 2,3-dihydro-2-oxo-1h-benzimidazol-1-butanoic Acid

29. 2,3-dihydro-2-oxo-1h-benzimidazole-l-butanoic Acid

30. J-018861

31. J-513338

32. 1h-benzimidazole-1-butanoic Acid,2,3-dihydro-2-oxo-

33. 4-(2-oxo-2,3-dihydro-1h-1,3-benzimidazol-1-yl)butanoic Acid

34. 4-(2-oxo-2,3-dihydro-1h-1,3- Benzodiazol-1-yl)butanoic Acid

35. 4-(2-oxo-2,3-dihydrobenzo[d]imidazol-1-yl)butanoic Acid;4-(2-oxo-2,3-dihydrobenzimidazol-1-yl)butyric Acid

2.3 Create Date

2007-02-08

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₂N₂O₃
Molecular Weight	220.22 g/mol
XLogP3	0.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	220.08479225 g/mol
Monoisotopic Mass	220.08479225 g/mol
Topological Polar Surface Area	69.6 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	293
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