TL;DR: 3-(4-chlorobenzyl)-5-[(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)methylene]-2,4-imidazolidinedione (CAS 1164517-40-1) is a chemical compound with molecular formula C19H20ClN3O2 and molecular weight 357.1244 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5Z)-3-[(4-chlorophenyl)methyl]-5-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylidene]imidazolidine-2,4-dione
Also Known As: 3-(4-chlorobenzyl)-5-[(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)methylene]-2,4-imidazolidinedione, (5Z)-3-[(4-chlorophenyl)methyl]-5-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylidene]imidazolidine-2,4-dione, (5Z)-3-(4-chlorobenzyl)-5-[(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]imidazolidine-2,4-dione, (5Z)-3-(4-chlorobenzyl)-5-[(1-ethyl-2,5-dimethyl-pyrrol-3-yl)methylene]hydantoin, (5Z)-3-[(4-chlorophenyl)methyl]-5-[(1-ethyl-2,5-dimethyl-3-pyrrolyl)methylidene]imidazolidine-2,4-dione
| Molecular Formula | C19H20ClN3O2 |
| Molecular Weight | 357.1244 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 54.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 357.1244 Da |
| Heavy Atoms | 25 |
| Complexity | 557.0 |
| SMILES | CCN1C(=CC(=C1C)/C=C\2/C(=O)N(C(=O)N2)CC3=CC=C(C=C3)Cl)C |
| InChIKey | BHGFKQBXKQVOKX-YVLHZVERSA-N |
The XLogP value of 3.2 indicates that 3-(4-chlorobenzyl)-5-[(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)methylene]-2,4-imidazolidinedione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.3 Ų, 3-(4-chlorobenzyl)-5-[(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)methylene]-2,4-imidazolidinedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-chlorobenzyl)-5-[(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)methylene]-2,4-imidazolidinedione has 1 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-(4-chlorobenzyl)-5-[(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)methylene]-2,4-imidazolidinedione is 1164517-40-1.
The molecular formula of 3-(4-chlorobenzyl)-5-[(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)methylene]-2,4-imidazolidinedione is C19H20ClN3O2.
The molecular weight of 3-(4-chlorobenzyl)-5-[(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)methylene]-2,4-imidazolidinedione is 357.1244 g/mol.
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