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Home > Imidazoles > 327104-07-4
327104-07-4 | 1H-Benzimidazole, 5-methoxy-1-methyl-2-[(phenylmethyl)thio]-
CAS No: 327104-07-4 Catalog No: AG007IYM MDL No:
Product Description
Catalog Number:
AG007IYM
Chemical Name:
1H-Benzimidazole, 5-methoxy-1-methyl-2-[(phenylmethyl)thio]-
CAS Number:
327104-07-4
Molecular Formula:
C16H16N2OS
Molecular Weight:
284.3760
IUPAC Name:
2-benzylsulfanyl-5-methoxy-1-methylbenzimidazole
InChI:
InChI=1S/C16H16N2OS/c1-18-15-9-8-13(19-2)10-14(15)17-16(18)20-11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3
InChI Key:
JILHGFPTXHNEIO-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)nc(n2C)SCc1ccccc1
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.098g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.377g/mol
Monoisotopic Mass:
284.098g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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