TL;DR: (S)-5-isobutyl-3-(3-(trifluoromethyl)phenyl)imidazolidine-2,4-dione (CAS 1173679-96-3) is a chemical compound with molecular formula C14H15F3N2O2 and molecular weight 300.10855 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5S)-5-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
Also Known As: (S)-5-isobutyl-3-(3-(trifluoromethyl)phenyl)imidazolidine-2,4-dione, (5S)-5-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
| Molecular Formula | C14H15F3N2O2 |
| Molecular Weight | 300.10855 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 49.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.10855 Da |
| Heavy Atoms | 21 |
| Complexity | 423.0 |
| SMILES | CC(C)C[C@H]1C(=O)N(C(=O)N1)C2=CC=CC(=C2)C(F)(F)F |
| InChIKey | QZXAROQUSHNWRL-NSHDSACASA-N |
The XLogP value of 3.3 indicates that (S)-5-isobutyl-3-(3-(trifluoromethyl)phenyl)imidazolidine-2,4-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.4 Ų, (S)-5-isobutyl-3-(3-(trifluoromethyl)phenyl)imidazolidine-2,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (S)-5-isobutyl-3-(3-(trifluoromethyl)phenyl)imidazolidine-2,4-dione has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (S)-5-isobutyl-3-(3-(trifluoromethyl)phenyl)imidazolidine-2,4-dione is 1173679-96-3.
The molecular formula of (S)-5-isobutyl-3-(3-(trifluoromethyl)phenyl)imidazolidine-2,4-dione is C14H15F3N2O2.
The molecular weight of (S)-5-isobutyl-3-(3-(trifluoromethyl)phenyl)imidazolidine-2,4-dione is 300.10855 g/mol.
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