TL;DR: 1H-Imidazole, 5-methoxy-2-methyl-4-nitro- (CAS 35687-42-4) is a chemical compound with molecular formula C5H7N3O3 and molecular weight 157.04874 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methoxy-2-methyl-5-nitro-1H-imidazole
Also Known As: 1H-Imidazole, 5-methoxy-2-methyl-4-nitro-, 5-Methoxy-2-methyl-4-nitro-1H-imidazole, 4-METHOXY-2-METHYL-5-NITRO-1H-IMIDAZOLE, 2-Methyl-4-nitro-5-methoxy-1H-imidazole, J1.618.348B
| Molecular Formula | C5H7N3O3 |
| Molecular Weight | 157.04874 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 83.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 157.04874 Da |
| Heavy Atoms | 11 |
| Complexity | 158.0 |
| SMILES | CC1=NC(=C(N1)[N+](=O)[O-])OC |
| InChIKey | LDZPAZWQSILXKU-UHFFFAOYSA-N |
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Imidazole, 5-methoxy-2-methyl-4-nitro-. The TPSA of 83.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Imidazole, 5-methoxy-2-methyl-4-nitro-. Following Lipinski's Rule of Five, 1H-Imidazole, 5-methoxy-2-methyl-4-nitro- has 1 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 1H-Imidazole, 5-methoxy-2-methyl-4-nitro- is 35687-42-4.
The molecular formula of 1H-Imidazole, 5-methoxy-2-methyl-4-nitro- is C5H7N3O3.
The molecular weight of 1H-Imidazole, 5-methoxy-2-methyl-4-nitro- is 157.04874 g/mol.
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