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Home > Imidazoles > 100541-50-2
100541-50-2 | 2-[(4-NITROBENZYL)THIO]-1H-BENZIMIDAZOLE
CAS No: 100541-50-2 Catalog No: AG01APZO MDL No:MFCD00422158
Product Description
Catalog Number:
AG01APZO
Chemical Name:
2-[(4-NITROBENZYL)THIO]-1H-BENZIMIDAZOLE
CAS Number:
100541-50-2
Molecular Formula:
C14H11N3O2S
Molecular Weight:
285.3210
MDL Number:
MFCD00422158
IUPAC Name:
2-[(4-nitrophenyl)methylsulfanyl]-1H-benzimidazole
InChI:
InChI=1S/C14H11N3O2S/c18-17(19)11-7-5-10(6-8-11)9-20-14-15-12-3-1-2-4-13(12)16-14/h1-8H,9H2,(H,15,16)
InChI Key:
GQKNIBASRJXHPJ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)CSc1nc2c([nH]1)cccc2
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.057g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
285.321g/mol
Monoisotopic Mass:
285.057g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
99.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
| Synthesis and preliminary evaluation of benzimidazole derivatives as antimicrobial agents. | European journal of medicinal chemistry 20020501 |
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