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100924-68-3 | Benzenamine, 2-[(1H-benzimidazol-2-ylsulfinyl)methyl]-N,N-dimethyl-
CAS No: 100924-68-3 Catalog No: AG00037D MDL No:
Product Description
Catalog Number:
AG00037D
Chemical Name:
Benzenamine, 2-[(1H-benzimidazol-2-ylsulfinyl)methyl]-N,N-dimethyl-
CAS Number:
100924-68-3
Molecular Formula:
C16H17N3OS
Molecular Weight:
299.3907
IUPAC Name:
2-(1H-benzimidazol-2-ylsulfinylmethyl)-N,N-dimethylaniline
InChI:
InChI=1S/C16H17N3OS/c1-19(2)15-10-6-3-7-12(15)11-21(20)16-17-13-8-4-5-9-14(13)18-16/h3-10H,11H2,1-2H3,(H,17,18)
InChI Key:
JVIHSTYYPRUSFG-UHFFFAOYSA-N
SMILES:
O=S(c1nc2c([nH]1)cccc2)Cc1ccccc1N(C)C
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.109g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
299.392g/mol
Monoisotopic Mass:
299.109g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Substituted 2-[(2-benzimidazolylsulfinyl)methyl]anilines as potential inhibitors of H+/K+ ATPase. | Journal of medicinal chemistry 19880601 |
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