TL;DR: ethyl 4-({[1-(4-chlorophenyl)-2,5-dioxo-3-(prop-2-en-1-yl)imidazolidin-4-yl]acetyl}amino)benzoate (CAS 1023919-43-8) is a chemical compound with molecular formula C23H22ClN3O5 and molecular weight 455.1248 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-[[2-[1-(4-chlorophenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetyl]amino]benzoate
Also Known As: ethyl 4-({[1-(4-chlorophenyl)-2,5-dioxo-3-(prop-2-en-1-yl)imidazolidin-4-yl]acetyl}amino)benzoate, ethyl 4-(2-(3-allyl-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl)acetamido)benzoate, ethyl 4-[[2-[1-(4-chlorophenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetyl]amino]benzoate, ETHYL 4-{2-[1-(4-CHLOROPHENYL)-2,5-DIOXO-3-(PROP-2-EN-1-YL)IMIDAZOLIDIN-4-YL]ACETAMIDO}BENZOATE
| Molecular Formula | C23H22ClN3O5 |
| Molecular Weight | 455.1248 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 96.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 455.1248 Da |
| Heavy Atoms | 32 |
| Complexity | 729.0 |
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=O)N2CC=C)C3=CC=C(C=C3)Cl |
| InChIKey | RFYCYWGXSPKGGL-UHFFFAOYSA-N |
The XLogP value of 3.2 indicates that ethyl 4-({[1-(4-chlorophenyl)-2,5-dioxo-3-(prop-2-en-1-yl)imidazolidin-4-yl]acetyl}amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-({[1-(4-chlorophenyl)-2,5-dioxo-3-(prop-2-en-1-yl)imidazolidin-4-yl]acetyl}amino)benzoate. Following Lipinski's Rule of Five, ethyl 4-({[1-(4-chlorophenyl)-2,5-dioxo-3-(prop-2-en-1-yl)imidazolidin-4-yl]acetyl}amino)benzoate 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 ethyl 4-({[1-(4-chlorophenyl)-2,5-dioxo-3-(prop-2-en-1-yl)imidazolidin-4-yl]acetyl}amino)benzoate is 1023919-43-8.
The molecular formula of ethyl 4-({[1-(4-chlorophenyl)-2,5-dioxo-3-(prop-2-en-1-yl)imidazolidin-4-yl]acetyl}amino)benzoate is C23H22ClN3O5.
The molecular weight of ethyl 4-({[1-(4-chlorophenyl)-2,5-dioxo-3-(prop-2-en-1-yl)imidazolidin-4-yl]acetyl}amino)benzoate is 455.1248 g/mol.
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