TL;DR: 2-Methyl-3-(1-methyl-5-nitro-1H-imidazol-2-yl)-2-propen-1-ol (CAS 141363-23-7) is a chemical compound with molecular formula C8H11N3O3 and molecular weight 197.08005 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-2-methyl-3-(1-methyl-5-nitroimidazol-2-yl)prop-2-en-1-ol
Also Known As: 2-Methyl-3-(1-methyl-5-nitro-1H-imidazol-2-yl)-2-propen-1-ol, 2-Propen-1-ol, 2-methyl-3-(1-methyl-5-nitro-1H-imidazol-2-yl)-, (E)-2-methyl-3-(1-methyl-5-nitroimidazol-2-yl)prop-2-en-1-ol
| Molecular Formula | C8H11N3O3 |
| Molecular Weight | 197.08005 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 83.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 197.08005 Da |
| Heavy Atoms | 14 |
| Complexity | 249.0 |
| SMILES | C/C(=C\C1=NC=C(N1C)[N+](=O)[O-])/CO |
| InChIKey | ATCUEHGMEJCGOJ-ZZXKWVIFSA-N |
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-3-(1-methyl-5-nitro-1H-imidazol-2-yl)-2-propen-1-ol. The TPSA of 83.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-3-(1-methyl-5-nitro-1H-imidazol-2-yl)-2-propen-1-ol. Following Lipinski's Rule of Five, 2-Methyl-3-(1-methyl-5-nitro-1H-imidazol-2-yl)-2-propen-1-ol 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 2-Methyl-3-(1-methyl-5-nitro-1H-imidazol-2-yl)-2-propen-1-ol is 141363-23-7.
The molecular formula of 2-Methyl-3-(1-methyl-5-nitro-1H-imidazol-2-yl)-2-propen-1-ol is C8H11N3O3.
The molecular weight of 2-Methyl-3-(1-methyl-5-nitro-1H-imidazol-2-yl)-2-propen-1-ol is 197.08005 g/mol.
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