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Home > Imidazoles > 1008283-53-1
1008283-53-1 | 4-methyl-1-[4-(propan-2-yl)phenyl]-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one
CAS No: 1008283-53-1 Catalog No: AG019OCF MDL No:MFCD06655910
Product Description
Catalog Number:
AG019OCF
Chemical Name:
4-methyl-1-[4-(propan-2-yl)phenyl]-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one
CAS Number:
1008283-53-1
Molecular Formula:
C13H16N2OS
Molecular Weight:
248.3439
MDL Number:
MFCD06655910
IUPAC Name:
5-methyl-3-(4-propan-2-ylphenyl)-2-sulfanylideneimidazolidin-4-one
InChI:
InChI=1S/C13H16N2OS/c1-8(2)10-4-6-11(7-5-10)15-12(16)9(3)14-13(15)17/h4-9H,1-3H3,(H,14,17)
InChI Key:
IJXWITBMUVNKRK-UHFFFAOYSA-N
SMILES:
O=C1C(C)N=C(N1c1ccc(cc1)C(C)C)S
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.098g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.344g/mol
Monoisotopic Mass:
248.098g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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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