TL;DR: 1-(2-imino-3-pentyl-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-3-(2-methoxyphenoxy)propan-2-ol hydrochloride (CAS 1052526-26-7) is a chemical compound with molecular formula C22H30ClN3O3 and molecular weight 419.19757 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-imino-3-pentylbenzimidazol-1-yl)-3-(2-methoxyphenoxy)propan-2-ol;hydrochloride
Also Known As: 1-(2-imino-3-pentyl-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-3-(2-methoxyphenoxy)propan-2-ol hydrochloride, 1-(2-imino-3-pentyl-2,3-dihydro-1H-benzimidazol-1-yl)-3-(2-methoxyphenoxy)propan-2-ol, 1-(2-imino-3-pentylbenzimidazol-1-yl)-3-(2-methoxyphenoxy)propan-2-ol hydrochloride, REGID_for_CID_6603585
| Molecular Formula | C22H30ClN3O3 |
| Molecular Weight | 419.19757 g/mol |
| XLogP | 3.98277 |
| Topological Polar Surface Area (TPSA) | 69.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 419.19757 Da |
| Heavy Atoms | 29 |
| Complexity | 490.0 |
| SMILES | CCCCCN1C2=CC=CC=C2N(C1=N)CC(COC3=CC=CC=C3OC)O.Cl |
| InChIKey | VTPYMYCDPZDVPK-UHFFFAOYSA-N |
The XLogP value of 3.98277 indicates that 1-(2-imino-3-pentyl-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-3-(2-methoxyphenoxy)propan-2-ol hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-imino-3-pentyl-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-3-(2-methoxyphenoxy)propan-2-ol hydrochloride. Following Lipinski's Rule of Five, 1-(2-imino-3-pentyl-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-3-(2-methoxyphenoxy)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-(2-imino-3-pentyl-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-3-(2-methoxyphenoxy)propan-2-ol hydrochloride is 1052526-26-7.
The molecular formula of 1-(2-imino-3-pentyl-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-3-(2-methoxyphenoxy)propan-2-ol hydrochloride is C22H30ClN3O3.
The molecular weight of 1-(2-imino-3-pentyl-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-3-(2-methoxyphenoxy)propan-2-ol hydrochloride is 419.19757 g/mol.
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