TL;DR: 2,2-Dimethyl-1-oxo-4-phenyl-2H-1lambda~5~-imidazole (CAS 123557-86-8) is a chemical compound with molecular formula C11H12N2O and molecular weight 188.09496 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2-dimethyl-1-oxido-4-phenylimidazol-1-ium
Also Known As: DMPIO, 2,2-dimethyl-1-oxido-4-phenylimidazol-1-ium, 2,2-Dimethyl-4-phenyl-2H-imidazole 1-oxide, 2H-Imidazole,2,2-dimethyl-4-phenyl-, 1-oxide, 2H-Imidazole, 2,2-dimethyl-4-phenyl-, 1-oxide
| Molecular Formula | C11H12N2O |
| Molecular Weight | 188.09496 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 41.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 188.09496 Da |
| Heavy Atoms | 14 |
| Complexity | 286.0 |
| SMILES | CC1(N=C(C=[N+]1[O-])C2=CC=CC=C2)C |
| InChIKey | MGZHFNJKNFACFZ-UHFFFAOYSA-N |
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dimethyl-1-oxo-4-phenyl-2H-1lambda~5~-imidazole. With a topological polar surface area (TPSA) of 41.1 Ų, 2,2-Dimethyl-1-oxo-4-phenyl-2H-1lambda~5~-imidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dimethyl-1-oxo-4-phenyl-2H-1lambda~5~-imidazole has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2,2-Dimethyl-1-oxo-4-phenyl-2H-1lambda~5~-imidazole is 123557-86-8.
The molecular formula of 2,2-Dimethyl-1-oxo-4-phenyl-2H-1lambda~5~-imidazole is C11H12N2O.
The molecular weight of 2,2-Dimethyl-1-oxo-4-phenyl-2H-1lambda~5~-imidazole is 188.09496 g/mol.
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