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Home > Imidazoles > 140894-76-4
140894-76-4 | 5-(3,4-Dimethoxy-benzylidene)-imidazolidine-2,4-dione
CAS No: 140894-76-4 Catalog No: AG01672R MDL No:
Product Description
Catalog Number:
AG01672R
Chemical Name:
5-(3,4-Dimethoxy-benzylidene)-imidazolidine-2,4-dione
CAS Number:
140894-76-4
Molecular Formula:
C12H12N2O4
Molecular Weight:
248.2347
IUPAC Name:
(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione
InChI:
InChI=1S/C12H12N2O4/c1-17-9-4-3-7(6-10(9)18-2)5-8-11(15)14-12(16)13-8/h3-6H,1-2H3,(H2,13,14,15,16)/b8-5-
InChI Key:
NKQBXYVAZTZVMV-YVMONPNESA-N
SMILES:
COc1cc(ccc1OC)/C=C/1\NC(=O)NC1=O
EC Number:
925-451-9
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
248.08g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
248.238g/mol
Monoisotopic Mass:
248.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Literature
| Title | Journal |
|---|---|
| Privileged scaffolds or promiscuous binders: a comparative study on rhodanines and related heterocycles in medicinal chemistry. | Journal of medicinal chemistry 20120126 |
| Discovery of (Z)-5-(4-methoxybenzylidene)thiazolidine-2,4-dione, a readily available and orally active glitazone for the treatment of concanavalin A-induced acute liver injury of BALB/c mice. | Journal of medicinal chemistry 20100114 |
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