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Home > Imidazoles > 475977-79-8
475977-79-8 | 1H-Benzimidazole,2-[[(2,4-dinitrophenyl)methyl]thio]-
CAS No: 475977-79-8 Catalog No: AG006ZZV MDL No:
Product Description
Catalog Number:
AG006ZZV
Chemical Name:
1H-Benzimidazole,2-[[(2,4-dinitrophenyl)methyl]thio]-
CAS Number:
475977-79-8
Molecular Formula:
C14H10N4O4S
Molecular Weight:
330.3186
IUPAC Name:
2-[(2,4-dinitrophenyl)methylsulfanyl]-1H-benzimidazole
InChI:
InChI=1S/C14H10N4O4S/c19-17(20)10-6-5-9(13(7-10)18(21)22)8-23-14-15-11-3-1-2-4-12(11)16-14/h1-7H,8H2,(H,15,16)
InChI Key:
YADIEFGWIISTOL-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1CSc1nc2c([nH]1)cccc2)[N+](=O)[O-]
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.042g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
330.318g/mol
Monoisotopic Mass:
330.042g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
146A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Literature
| Title | Journal |
|---|---|
| Synthesis and preliminary evaluation of benzimidazole derivatives as antimicrobial agents. | European journal of medicinal chemistry 20020501 |
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