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Home > Imidazoles > 116705-22-7
116705-22-7 | (5Z)-5-(4-nitrobenzylidene)imidazolidine-2,4-dione
CAS No: 116705-22-7 Catalog No: AG0167ED MDL No:
Product Description
Catalog Number:
AG0167ED
Chemical Name:
(5Z)-5-(4-nitrobenzylidene)imidazolidine-2,4-dione
CAS Number:
116705-22-7
Molecular Formula:
C10H7N3O4
Molecular Weight:
233.1803
IUPAC Name:
(5Z)-5-[(4-nitrophenyl)methylidene]imidazolidine-2,4-dione
InChI:
InChI=1S/C10H7N3O4/c14-9-8(11-10(15)12-9)5-6-1-3-7(4-2-6)13(16)17/h1-5H,(H2,11,12,14,15)/b8-5-
InChI Key:
MSTWOYMTYLWAGQ-YVMONPNESA-N
SMILES:
O=C1NC(=O)/C(=C/c2ccc(cc2)[N+](=O)[O-])/N1
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
233.044g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
233.183g/mol
Monoisotopic Mass:
233.044g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Literature
| Title | Journal |
|---|---|
| Privileged scaffolds or promiscuous binders: a comparative study on rhodanines and related heterocycles in medicinal chemistry. | Journal of medicinal chemistry 20120126 |
| Anticonvulsant activity of phenylmethylenehydantoins: a structure-activity relationship study. | Journal of medicinal chemistry 20040311 |
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