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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

UNII-66LQ48A9BT

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 Formula	C₁₃H₉N₂NaO₃S
Molecular Weight	296.28 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	296.02315761 g/mol
Monoisotopic Mass	296.02315761 g/mol
Topological Polar Surface Area	94.3 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	420
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	2