TL;DR: ethyl 2-(2-imino-3-(2-(m-tolyloxy)ethyl)-2,3-dihydro-1H-benzo[d]imidazol-1-yl)acetate hydrochloride (CAS 1052533-60-4) is a chemical compound with molecular formula C20H24ClN3O3 and molecular weight 389.1506 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-[2-imino-3-[2-(3-methylphenoxy)ethyl]benzimidazol-1-yl]acetate;hydrochloride
Also Known As: ethyl 2-(2-imino-3-(2-(m-tolyloxy)ethyl)-2,3-dihydro-1H-benzo[d]imidazol-1-yl)acetate hydrochloride, ethyl 2-[2-imino-3-[2-(3-methylphenoxy)ethyl]benzimidazol-1-yl]acetate hydrochloride, REGID_for_CID_6603166
| Molecular Formula | C20H24ClN3O3 |
| Molecular Weight | 389.1506 g/mol |
| XLogP | 3.29459 |
| Topological Polar Surface Area (TPSA) | 65.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 389.1506 Da |
| Heavy Atoms | 27 |
| Complexity | 499.0 |
| SMILES | CCOC(=O)CN1C2=CC=CC=C2N(C1=N)CCOC3=CC=CC(=C3)C.Cl |
| InChIKey | RITYJBIWNRBDMS-UHFFFAOYSA-N |
The XLogP value of 3.29459 indicates that ethyl 2-(2-imino-3-(2-(m-tolyloxy)ethyl)-2,3-dihydro-1H-benzo[d]imidazol-1-yl)acetate hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.9 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(2-imino-3-(2-(m-tolyloxy)ethyl)-2,3-dihydro-1H-benzo[d]imidazol-1-yl)acetate hydrochloride. Following Lipinski's Rule of Five, ethyl 2-(2-imino-3-(2-(m-tolyloxy)ethyl)-2,3-dihydro-1H-benzo[d]imidazol-1-yl)acetate hydrochloride has 2 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 2-(2-imino-3-(2-(m-tolyloxy)ethyl)-2,3-dihydro-1H-benzo[d]imidazol-1-yl)acetate hydrochloride is 1052533-60-4.
The molecular formula of ethyl 2-(2-imino-3-(2-(m-tolyloxy)ethyl)-2,3-dihydro-1H-benzo[d]imidazol-1-yl)acetate hydrochloride is C20H24ClN3O3.
The molecular weight of ethyl 2-(2-imino-3-(2-(m-tolyloxy)ethyl)-2,3-dihydro-1H-benzo[d]imidazol-1-yl)acetate hydrochloride is 389.1506 g/mol.
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