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Home > Imidazoles > 1253697-93-6
1253697-93-6 | (2-p-tolyl-1H-imidazol-5-yl)(3,4,5-trimethoxyphenyl)methanone
CAS No: 1253697-93-6 Catalog No: AG01DDLD MDL No:
Product Description
Catalog Number:
AG01DDLD
Chemical Name:
(2-p-tolyl-1H-imidazol-5-yl)(3,4,5-trimethoxyphenyl)methanone
CAS Number:
1253697-93-6
Molecular Formula:
C20H20N2O4
Molecular Weight:
352.3838
IUPAC Name:
[2-(4-methylphenyl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone
InChI:
InChI=1S/C20H20N2O4/c1-12-5-7-13(8-6-12)20-21-11-15(22-20)18(23)14-9-16(24-2)19(26-4)17(10-14)25-3/h5-11H,1-4H3,(H,21,22)
InChI Key:
NQHVDNDKHQBFKP-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1OC)OC)C(=O)c1cnc([nH]1)c1ccc(cc1)C
Properties
Complexity:
453
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.142g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
352.39g/mol
Monoisotopic Mass:
352.142g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
73.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Literature
| Title | Journal |
|---|---|
| Synthesis and antiproliferative activity of novel 2-aryl-4-benzoyl-imidazole derivatives targeting tubulin polymerization. | Bioorganic & medicinal chemistry 20110815 |
| Discovery of novel 2-aryl-4-benzoyl-imidazoles targeting the colchicines binding site in tubulin as potential anticancer agents. | Journal of medicinal chemistry 20101028 |
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