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Home > Imidazoles > 338414-89-4
338414-89-4 | [1-benzyl-2-(benzylsulfanyl)-1H-imidazol-5-yl]methanol
CAS No: 338414-89-4 Catalog No: AG00IXZG MDL No:MFCD01568342
Product Description
Catalog Number:
AG00IXZG
Chemical Name:
[1-benzyl-2-(benzylsulfanyl)-1H-imidazol-5-yl]methanol
CAS Number:
338414-89-4
Molecular Formula:
C18H18N2OS
Molecular Weight:
310.4133
MDL Number:
MFCD01568342
IUPAC Name:
(3-benzyl-2-benzylsulfanylimidazol-4-yl)methanol
InChI:
InChI=1S/C18H18N2OS/c21-13-17-11-19-18(22-14-16-9-5-2-6-10-16)20(17)12-15-7-3-1-4-8-15/h1-11,21H,12-14H2
InChI Key:
UHPMDGFWHBXXMC-UHFFFAOYSA-N
SMILES:
OCc1cnc(n1Cc1ccccc1)SCc1ccccc1
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.114g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
310.415g/mol
Monoisotopic Mass:
310.114g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
63.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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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