TL;DR: 2,4,4-trimethyl-5-(5-methylfuran-2-yl)-4H-imidazole 1,3-dioxide (CAS 124761-78-0) is a chemical compound with molecular formula C11H14N2O3 and molecular weight 222.10045 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,4,4-trimethyl-5-(5-methylfuran-2-yl)-1,3-dioxidoimidazole-1,3-diium
Also Known As: IDI1_022026, 2,4,4-trimethyl-5-(5-methylfuran-2-yl)-4H-imidazole 1,3-dioxide, 2,4,4-trimethyl-5-(5-methylfuran-2-yl)-1,3-dioxidoimidazole-1,3-diium, Cambridge id 5844739
| Molecular Formula | C11H14N2O3 |
| Molecular Weight | 222.10045 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 70.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 222.10045 Da |
| Heavy Atoms | 16 |
| Complexity | 385.0 |
| SMILES | CC1=CC=C(O1)C2=[N+](C(=[N+](C2(C)C)[O-])C)[O-] |
| InChIKey | PWCFCQOJYHVTOL-UHFFFAOYSA-N |
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,4-trimethyl-5-(5-methylfuran-2-yl)-4H-imidazole 1,3-dioxide. The TPSA of 70.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4,4-trimethyl-5-(5-methylfuran-2-yl)-4H-imidazole 1,3-dioxide. Following Lipinski's Rule of Five, 2,4,4-trimethyl-5-(5-methylfuran-2-yl)-4H-imidazole 1,3-dioxide 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 2,4,4-trimethyl-5-(5-methylfuran-2-yl)-4H-imidazole 1,3-dioxide is 124761-78-0.
The molecular formula of 2,4,4-trimethyl-5-(5-methylfuran-2-yl)-4H-imidazole 1,3-dioxide is C11H14N2O3.
The molecular weight of 2,4,4-trimethyl-5-(5-methylfuran-2-yl)-4H-imidazole 1,3-dioxide is 222.10045 g/mol.
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