TL;DR: 2-(3-(2-(2,4-dichlorophenoxy)ethyl)-2-imino-2,3-dihydro-1H-benzo[d]imidazol-1-yl)ethanol hydrochloride (CAS 1052522-82-3) is a chemical compound with molecular formula C17H18Cl3N3O2 and molecular weight 401.04645 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[3-[2-(2,4-dichlorophenoxy)ethyl]-2-iminobenzimidazol-1-yl]ethanol;hydrochloride
Also Known As: 2-(3-(2-(2,4-dichlorophenoxy)ethyl)-2-imino-2,3-dihydro-1H-benzo[d]imidazol-1-yl)ethanol hydrochloride, 2-[3-[2-(2,4-dichlorophenoxy)ethyl]-2-iminobenzimidazol-1-yl]ethanol hydrochloride, 2-{3-[2-(2,4-dichlorophenoxy)ethyl]-2-imino-2,3-dihydro-1H-benzimidazol-1-yl}ethanol
| Molecular Formula | C17H18Cl3N3O2 |
| Molecular Weight | 401.04645 g/mol |
| XLogP | 3.72217 |
| Topological Polar Surface Area (TPSA) | 59.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 401.04645 Da |
| Heavy Atoms | 25 |
| Complexity | 440.0 |
| SMILES | C1=CC=C2C(=C1)N(C(=N)N2CCOC3=C(C=C(C=C3)Cl)Cl)CCO.Cl |
| InChIKey | RRBQHDDVDCVMCE-UHFFFAOYSA-N |
The XLogP value of 3.72217 indicates that 2-(3-(2-(2,4-dichlorophenoxy)ethyl)-2-imino-2,3-dihydro-1H-benzo[d]imidazol-1-yl)ethanol hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.8 Ų, 2-(3-(2-(2,4-dichlorophenoxy)ethyl)-2-imino-2,3-dihydro-1H-benzo[d]imidazol-1-yl)ethanol hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-(2-(2,4-dichlorophenoxy)ethyl)-2-imino-2,3-dihydro-1H-benzo[d]imidazol-1-yl)ethanol hydrochloride has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-(3-(2-(2,4-dichlorophenoxy)ethyl)-2-imino-2,3-dihydro-1H-benzo[d]imidazol-1-yl)ethanol hydrochloride is 1052522-82-3.
The molecular formula of 2-(3-(2-(2,4-dichlorophenoxy)ethyl)-2-imino-2,3-dihydro-1H-benzo[d]imidazol-1-yl)ethanol hydrochloride is C17H18Cl3N3O2.
The molecular weight of 2-(3-(2-(2,4-dichlorophenoxy)ethyl)-2-imino-2,3-dihydro-1H-benzo[d]imidazol-1-yl)ethanol hydrochloride is 401.04645 g/mol.
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