TL;DR: 1-(3-butyl-2-imino-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-3-(p-tolyloxy)propan-2-ol hydrochloride (CAS 1052527-47-5) is a chemical compound with molecular formula C21H28ClN3O2 and molecular weight 389.187 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3-butyl-2-iminobenzimidazol-1-yl)-3-(4-methylphenoxy)propan-2-ol;hydrochloride
Also Known As: 1-(3-butyl-2-imino-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-3-(p-tolyloxy)propan-2-ol hydrochloride, 1-(3-butyl-2-iminobenzimidazol-1-yl)-3-(4-methylphenoxy)propan-2-ol hydrochloride, REGID_for_CID_6603133
| Molecular Formula | C21H28ClN3O2 |
| Molecular Weight | 389.187 g/mol |
| XLogP | 3.89249 |
| Topological Polar Surface Area (TPSA) | 59.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 389.187 Da |
| Heavy Atoms | 27 |
| Complexity | 451.0 |
| SMILES | CCCCN1C2=CC=CC=C2N(C1=N)CC(COC3=CC=C(C=C3)C)O.Cl |
| InChIKey | AZLPVDSMEKFZIT-UHFFFAOYSA-N |
The XLogP value of 3.89249 indicates that 1-(3-butyl-2-imino-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-3-(p-tolyloxy)propan-2-ol 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, 1-(3-butyl-2-imino-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-3-(p-tolyloxy)propan-2-ol hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-butyl-2-imino-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-3-(p-tolyloxy)propan-2-ol hydrochloride has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-(3-butyl-2-imino-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-3-(p-tolyloxy)propan-2-ol hydrochloride is 1052527-47-5.
The molecular formula of 1-(3-butyl-2-imino-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-3-(p-tolyloxy)propan-2-ol hydrochloride is C21H28ClN3O2.
The molecular weight of 1-(3-butyl-2-imino-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-3-(p-tolyloxy)propan-2-ol hydrochloride is 389.187 g/mol.
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