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Home > Imidazoles > 38870-51-8
38870-51-8 | 1H-Imidazole, 2,5-dihydro-1-hydroxy-2,5,5-trimethyl-4-phenyl-, 3-oxide
CAS No: 38870-51-8 Catalog No: AG0077LT MDL No:
Product Description
Catalog Number:
AG0077LT
Chemical Name:
1H-Imidazole, 2,5-dihydro-1-hydroxy-2,5,5-trimethyl-4-phenyl-, 3-oxide
CAS Number:
38870-51-8
Molecular Formula:
C12H16N2O2
Molecular Weight:
220.2676
IUPAC Name:
3-hydroxy-2,4,4-trimethyl-1-oxido-5-phenyl-2H-imidazol-1-ium
InChI:
InChI=1S/C12H16N2O2/c1-9-13(15)11(12(2,3)14(9)16)10-7-5-4-6-8-10/h4-9,16H,1-3H3
InChI Key:
BUAYVMBAEHVRMC-UHFFFAOYSA-N
SMILES:
CC1[N+](=C(C(N1O)(C)C)c1ccccc1)[O-]
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.121g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.272g/mol
Monoisotopic Mass:
220.121g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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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