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Home > Imidazoles > 478049-29-5
478049-29-5 | (1-benzyl-2-methanesulfonyl-1H-imidazol-5-yl)methanol
CAS No: 478049-29-5 Catalog No: AG00IQQC MDL No:MFCD02083438
Product Description
Catalog Number:
AG00IQQC
Chemical Name:
(1-benzyl-2-methanesulfonyl-1H-imidazol-5-yl)methanol
CAS Number:
478049-29-5
Molecular Formula:
C12H14N2O3S
Molecular Weight:
266.3162
MDL Number:
MFCD02083438
IUPAC Name:
(3-benzyl-2-methylsulfonylimidazol-4-yl)methanol
InChI:
InChI=1S/C12H14N2O3S/c1-18(16,17)12-13-7-11(9-15)14(12)8-10-5-3-2-4-6-10/h2-7,15H,8-9H2,1H3
InChI Key:
SBFWCAHNEMQRKW-UHFFFAOYSA-N
SMILES:
OCc1cnc(n1Cc1ccccc1)S(=O)(=O)C
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.073g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.315g/mol
Monoisotopic Mass:
266.073g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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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