TL;DR: 2-Methyl-4-nitro-1-(4-nitrophenyl)-1H-imidazole (CAS 21721-92-6) is a chemical compound with molecular formula C10H8N4O4 and molecular weight 248.05455 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methyl-4-nitro-1-(4-nitrophenyl)imidazole
Also Known As: Nitrefazole, Altimol, nitrefazol, Nitrefazolum, Nitrefazol [INN-Spanish]
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C10H8N4O4 |
| Molecular Weight | 248.05455 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 248.05455 Da |
| Heavy Atoms | 18 |
| Complexity | 332.0 |
| SMILES | CC1=NC(=CN1C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | NMTBSNPBIGRZBL-UHFFFAOYSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-4-nitro-1-(4-nitrophenyl)-1H-imidazole. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-4-nitro-1-(4-nitrophenyl)-1H-imidazole. Following Lipinski's Rule of Five, 2-Methyl-4-nitro-1-(4-nitrophenyl)-1H-imidazole has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-Methyl-4-nitro-1-(4-nitrophenyl)-1H-imidazole is 21721-92-6.
The molecular formula of 2-Methyl-4-nitro-1-(4-nitrophenyl)-1H-imidazole is C10H8N4O4.
The molecular weight of 2-Methyl-4-nitro-1-(4-nitrophenyl)-1H-imidazole is 248.05455 g/mol.
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