TL;DR: 3,3a,4,4-tetramethyl-1H-imidazo[1,2-a]indol-2-one (CAS 110789-43-0) is a chemical compound with molecular formula C14H18N2O and molecular weight 230.1419 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,3a,4,4-tetramethyl-1H-imidazo[1,2-a]indol-2-one
Also Known As: 3,3a,4,4-tetramethyl-1H-imidazo[1,2-a]indol-2-one, 1,9,9,9a-tetramethylimidazolidino[1,2-a]indolin-2-one, 1H-Imidazo[1,2-a]indol-2(3H)-one, 9,9a-dihydro-1,9,9,9a-tetramethyl-, 1,9,9,9a-Tetramethyl-9,9a-dihydro-1H-imidazo[1,2-a]indol-2(3H)-one
| Molecular Formula | C14H18N2O |
| Molecular Weight | 230.1419 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 230.1419 Da |
| Heavy Atoms | 17 |
| Complexity | 365.0 |
| SMILES | CC1(C2=CC=CC=C2N3C1(N(C(=O)C3)C)C)C |
| InChIKey | NHTSPEFXSZEHQA-UHFFFAOYSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3a,4,4-tetramethyl-1H-imidazo[1,2-a]indol-2-one. With a topological polar surface area (TPSA) of 23.6 Ų, 3,3a,4,4-tetramethyl-1H-imidazo[1,2-a]indol-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3a,4,4-tetramethyl-1H-imidazo[1,2-a]indol-2-one 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 3,3a,4,4-tetramethyl-1H-imidazo[1,2-a]indol-2-one is 110789-43-0.
The molecular formula of 3,3a,4,4-tetramethyl-1H-imidazo[1,2-a]indol-2-one is C14H18N2O.
The molecular weight of 3,3a,4,4-tetramethyl-1H-imidazo[1,2-a]indol-2-one is 230.1419 g/mol.
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