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2D Structure
Also known as: 5997-53-5, 66lq48a9bt, Sodium;2-phenyl-3h-benzimidazole-5-sulfonate, 2-phenyl-1h-benzimidazole-5-sulfonic acid sodium salt, Sodium 2-phenyl-5-benzimidazolesulfonate, 1h-benzimidazole-5-sulfonic acid, 2-phenyl-, monosodium salt
Molecular Formula
C13H9N2NaO3S
Molecular Weight
296.28  g/mol
InChI Key
JNUBZSFXMKCDFD-UHFFFAOYSA-M
FDA UNII
66LQ48A9BT

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
sodium;2-phenyl-3H-benzimidazole-5-sulfonate
2.1.2 InChI
InChI=1S/C13H10N2O3S.Na/c16-19(17,18)10-6-7-11-12(8-10)15-13(14-11)9-4-2-1-3-5-9;/h1-8H,(H,14,15)(H,16,17,18);/q;+1/p-1
2.1.3 InChI Key
JNUBZSFXMKCDFD-UHFFFAOYSA-M
2.1.4 Canonical SMILES
C1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)S(=O)(=O)[O-].[Na+]
2.2 Other Identifiers
2.2.1 UNII
66LQ48A9BT
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 5997-53-5

2. 66lq48a9bt

3. Sodium;2-phenyl-3h-benzimidazole-5-sulfonate

4. 2-phenyl-1h-benzimidazole-5-sulfonic Acid Sodium Salt

5. Sodium 2-phenyl-5-benzimidazolesulfonate

6. 1h-benzimidazole-5-sulfonic Acid, 2-phenyl-, Monosodium Salt

7. Phenylbenzimidazole Sulfonic Acid Sodium Salt

8. 2-phenylbenzimidazole-5-sulfonic Acid Sodium Salt

9. Sodium 2-phenyl-1h-benzo[d]imidazole-5-sulfonate

10. 5(or 6)-benzimidazolesulfonic Acid, 2-phenyl-, Sodium Salt

11. 1h-benzimidazole-6-sulfonic Acid, 2-phenyl-, Sodium Salt (1:1)

12. Unii-66lq48a9bt

13. Ensulizole Sodium Salt

14. Schembl3173641

15. Dtxsid601021879

16. Ensulizole Sodium [who-dd]

17. Ensulizole Sodium Salt [mi]

18. Phenylbenzimidazole-5-sulfonate Sodium

19. Phenylbenzimidazole-5-sulphonate Sodium

20. 2-phenyl-5-benzimidazolsulfonate Sodium

21. Sodium Phenylbenzimidazole Sulfonate [inci]

22. Q27264002

23. Sodium 2-phenyl-1h-benzylimidazole-5-sulfonate

24. 2-phenyl-5-benzimidazolsulfonate Sodium [who-dd]

2.4 Create Date
2008-02-05
3 Chemical and Physical Properties
Molecular Weight 296.28 g/mol
Molecular Formula C13H9N2NaO3S
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass296.02315761 g/mol
Monoisotopic Mass296.02315761 g/mol
Topological Polar Surface Area94.3 Ų
Heavy Atom Count20
Formal Charge0
Complexity420
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2