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Home > Imidazoles > 23593-14-8
23593-14-8 | 1H-Benzimidazole, 2-[(4-pyridinylmethyl)thio]-
CAS No: 23593-14-8 Catalog No: AG002NSP MDL No:
Product Description
Catalog Number:
AG002NSP
Chemical Name:
1H-Benzimidazole, 2-[(4-pyridinylmethyl)thio]-
CAS Number:
23593-14-8
Molecular Formula:
C13H11N3S
Molecular Weight:
241.3115
IUPAC Name:
2-(pyridin-4-ylmethylsulfanyl)-1H-benzimidazole
InChI:
InChI=1S/C13H11N3S/c1-2-4-12-11(3-1)15-13(16-12)17-9-10-5-7-14-8-6-10/h1-8H,9H2,(H,15,16)
InChI Key:
GGTXQYUQXAYWLY-UHFFFAOYSA-N
SMILES:
n1ccc(cc1)CSc1nc2c([nH]1)cccc2
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.067g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.312g/mol
Monoisotopic Mass:
241.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Novel structures derived from 2-[[(2-pyridyl)methyl]thio]-1H-benzimidazole as anti-Helicobacter pylori agents, Part 1. | Journal of medicinal chemistry 20020912 |
| Novel structures derived from 2-[[(2-pyridyl)methyl]thio]-1H-benzimidazole as anti-Helicobacter pylori agents, Part 2. | Journal of medicinal chemistry 20020912 |
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