TL;DR: 1H-Imidazole, 2-cyclopropyl-1-methyl-5-nitro- (CAS 74550-87-1) is a chemical compound with molecular formula C7H9N3O2 and molecular weight 167.06947 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-cyclopropyl-1-methyl-5-nitroimidazole
Also Known As: 1H-Imidazole, 2-cyclopropyl-1-methyl-5-nitro-, 2-Cyclopropyl-1-methyl-5-nitro-1H-imidazole, DA 3851, 2-cyclopropyl-1-methyl-5-nitroimidazole, 1,3-bis(2,4,6-trichlorophenoxy)propan-2-ol
| Molecular Formula | C7H9N3O2 |
| Molecular Weight | 167.06947 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 63.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 167.06947 Da |
| Heavy Atoms | 12 |
| Complexity | 199.0 |
| SMILES | CN1C(=CN=C1C2CC2)[N+](=O)[O-] |
| InChIKey | DQOYEOYSZVBYQN-UHFFFAOYSA-N |
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Imidazole, 2-cyclopropyl-1-methyl-5-nitro-. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Imidazole, 2-cyclopropyl-1-methyl-5-nitro-. Following Lipinski's Rule of Five, 1H-Imidazole, 2-cyclopropyl-1-methyl-5-nitro- has 0 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 1H-Imidazole, 2-cyclopropyl-1-methyl-5-nitro- is 74550-87-1.
The molecular formula of 1H-Imidazole, 2-cyclopropyl-1-methyl-5-nitro- is C7H9N3O2.
The molecular weight of 1H-Imidazole, 2-cyclopropyl-1-methyl-5-nitro- is 167.06947 g/mol.
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