TL;DR: (5Z)-5-(3-nitrobenzylidene)imidazolidine-2,4-dione (CAS 136949-31-0) is a chemical compound with molecular formula C10H7N3O4 and molecular weight 233.04366 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5Z)-5-[(3-nitrophenyl)methylidene]imidazolidine-2,4-dione
Also Known As: (5Z)-5-(3-nitrobenzylidene)imidazolidine-2,4-dione, BB 0218633, 5-[3-Nitrobenzylidene]imidazolidine-2,4-dione, 5-[1-(3-Nitro-phenyl)-meth-(Z)-ylidene]-imidazolidine-2,4-dione, 5-[(3-nitrophenyl)methylidene]imidazolidine-2,4-dione
| Molecular Formula | C10H7N3O4 |
| Molecular Weight | 233.04366 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 233.04366 Da |
| Heavy Atoms | 17 |
| Complexity | 399.0 |
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])/C=C\2/C(=O)NC(=O)N2 |
| InChIKey | UXLLZDWZJYMJKG-YVMONPNESA-N |
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5Z)-5-(3-nitrobenzylidene)imidazolidine-2,4-dione. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (5Z)-5-(3-nitrobenzylidene)imidazolidine-2,4-dione. Following Lipinski's Rule of Five, (5Z)-5-(3-nitrobenzylidene)imidazolidine-2,4-dione has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (5Z)-5-(3-nitrobenzylidene)imidazolidine-2,4-dione is 136949-31-0.
The molecular formula of (5Z)-5-(3-nitrobenzylidene)imidazolidine-2,4-dione is C10H7N3O4.
The molecular weight of (5Z)-5-(3-nitrobenzylidene)imidazolidine-2,4-dione is 233.04366 g/mol.
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