CAS 942195-86-0

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Also known as: 942195-86-0, Mfcd20260231, 7-hydroxy-n,n,2-trimethyl-3-tosyl-3h-benzo[d]imidazole-5-carboxamide, 4-hydroxy-n,n,2-trimethyl-1-tosylbenzimidazole-6-carboxamide, 4-hydroxy-n,n,2-trimethyl-1-[(4-methylphenyl)sulfonyl]-1h-benzimidazole-6-carboxamide, 9au45ybj8m

Molecular Formula

C₁₈H₁₉N₃O₄S

Molecular Weight

373.4 g/mol

InChI Key

AGWVNJPTTKMUQO-UHFFFAOYSA-N

FDA UNII

9AU45YBJ8M

1 2D Structure

CAS 942195-86-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

7-hydroxy-N,N,2-trimethyl-3-(4-methylphenyl)sulfonylbenzimidazole-5-carboxamide

2.1.2 InChI

InChI=1S/C18H19N3O4S/c1-11-5-7-14(8-6-11)26(24,25)21-12(2)19-17-15(21)9-13(10-16(17)22)18(23)20(3)4/h5-10,22H,1-4H3

2.1.3 InChI Key

AGWVNJPTTKMUQO-UHFFFAOYSA-N

2.2 Other Identifiers

2.2.1 UNII

9AU45YBJ8M

2.3 Synonyms

2.3.1 MeSH Synonyms

1. (none)

2.3.2 Depositor-Supplied Synonyms

1. 942195-86-0

2. Mfcd20260231

3. 7-hydroxy-n,n,2-trimethyl-3-tosyl-3h-benzo[d]imidazole-5-carboxamide

4. 4-hydroxy-n,n,2-trimethyl-1-tosylbenzimidazole-6-carboxamide

5. 4-hydroxy-n,n,2-trimethyl-1-[(4-methylphenyl)sulfonyl]-1h-benzimidazole-6-carboxamide

6. 9au45ybj8m

7. Schembl1942551

8. Agwvnjpttkmuqo-uhfffaoysa-n

9. Xh0002

10. Sb18263

11. 4-hydroxy-n,n,2-trimethyl-1-(4-methylbenzenesulfonyl)-1h-1,3-benzodiazole-6-carboxamide

12. Sy273954

13. F77093

14. 7-hydroxy-n,n,2-trimethyl-3-tosyl-3hbenzo[d]imidazole-5-carboxamide

15. 1h-benzimidazole-6-carboxamide, 4-hydroxy-n,n,2-trimethyl-1-[(4-methylphenyl)sulfonyl]-

16. 7-hydroxy-n,n,2-trimethyl-3-(4-methylphenyl)sulfonylbenzimidazole-5-carboxamide

2.4 Create Date

2012-11-30

3 Chemical and Physical Properties

Molecular Formula	C₁₈H₁₉N₃O₄S
Molecular Weight	373.4 g/mol
XLogP3	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	101
Heavy Atom Count	26
Formal Charge	0
Complexity	625
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