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Home > Imidazoles > 302929-96-0
302929-96-0 | 2-Butanone, 1-[(5-methoxy-1-methyl-1H-benzimidazol-2-yl)thio]-3,3-dimethyl-
CAS No: 302929-96-0 Catalog No: AG002ZJ3 MDL No:
Product Description
Catalog Number:
AG002ZJ3
Chemical Name:
2-Butanone, 1-[(5-methoxy-1-methyl-1H-benzimidazol-2-yl)thio]-3,3-dimethyl-
CAS Number:
302929-96-0
Molecular Formula:
C15H20N2O2S
Molecular Weight:
292.3965
IUPAC Name:
1-(5-methoxy-1-methylbenzimidazol-2-yl)sulfanyl-3,3-dimethylbutan-2-one
InChI:
InChI=1S/C15H20N2O2S/c1-15(2,3)13(18)9-20-14-16-11-8-10(19-5)6-7-12(11)17(14)4/h6-8H,9H2,1-5H3
InChI Key:
VGIUEAVXLPQMSX-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)nc(n2C)SCC(=O)C(C)(C)C
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.125g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.397g/mol
Monoisotopic Mass:
292.125g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| 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 |
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