TL;DR: (5E)-5-(5-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)imidazolidine-2,4-dione (CAS 113054-13-0) is a chemical compound with molecular formula C12H9N3O3 and molecular weight 243.06439 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)-5-methylindol-2-one
Also Known As: (E)-5-(5-methyl-2-oxoindolin-3-ylidene)imidazolidine-2,4-dione, 5-(5-methyl-2-oxo-1H-indol-3-ylidene)imidazolidine-2,4-dione, (5E)-5-(5-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)imidazolidine-2,4-dione, (5E)-5-(5-methyl-2-oxo-1H-indol-3-ylidene)imidazolidine-2,4-dione, (5Z)-5-(5-methyl-2-oxo-1H-indol-3-ylidene)imidazolidine-2,4-dione
| Molecular Formula | C12H9N3O3 |
| Molecular Weight | 243.06439 g/mol |
| XLogP | -0.5 |
| Topological Polar Surface Area (TPSA) | 90.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 243.06439 Da |
| Heavy Atoms | 18 |
| Complexity | 647.0 |
| SMILES | CC1=CC2=C(C(=O)N=C2C=C1)C3=C(NC(=O)N3)O |
| InChIKey | CQGRBRGZAVSFFM-UHFFFAOYSA-N |
The XLogP value of -0.5 indicates that (5E)-5-(5-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)imidazolidine-2,4-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 90.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-5-(5-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)imidazolidine-2,4-dione. Following Lipinski's Rule of Five, (5E)-5-(5-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)imidazolidine-2,4-dione has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (5E)-5-(5-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)imidazolidine-2,4-dione is 113054-13-0.
The molecular formula of (5E)-5-(5-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)imidazolidine-2,4-dione is C12H9N3O3.
The molecular weight of (5E)-5-(5-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)imidazolidine-2,4-dione is 243.06439 g/mol.
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