TL;DR: 1-(3-benzyl-2-imino-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-3-(4-methoxyphenoxy)propan-2-ol hydrochloride (CAS 1052527-86-2) is a chemical compound with molecular formula C24H26ClN3O3 and molecular weight 439.16626 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3-benzyl-2-iminobenzimidazol-1-yl)-3-(4-methoxyphenoxy)propan-2-ol;hydrochloride
Also Known As: 1-(3-benzyl-2-imino-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-3-(4-methoxyphenoxy)propan-2-ol hydrochloride, 1-(3-benzyl-2-iminobenzimidazol-1-yl)-3-(4-methoxyphenoxy)propan-2-ol hydrochloride, REGID_for_CID_6603134
| Molecular Formula | C24H26ClN3O3 |
| Molecular Weight | 439.16626 g/mol |
| XLogP | 3.84087 |
| Topological Polar Surface Area (TPSA) | 69.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 439.16626 Da |
| Heavy Atoms | 31 |
| Complexity | 546.0 |
| SMILES | COC1=CC=C(C=C1)OCC(CN2C3=CC=CC=C3N(C2=N)CC4=CC=CC=C4)O.Cl |
| InChIKey | AXAVFTVOILEJPR-UHFFFAOYSA-N |
The XLogP value of 3.84087 indicates that 1-(3-benzyl-2-imino-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-3-(4-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-(3-benzyl-2-imino-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-3-(4-methoxyphenoxy)propan-2-ol hydrochloride. Following Lipinski's Rule of Five, 1-(3-benzyl-2-imino-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-3-(4-methoxyphenoxy)propan-2-ol hydrochloride has 3 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 1-(3-benzyl-2-imino-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-3-(4-methoxyphenoxy)propan-2-ol hydrochloride is 1052527-86-2.
The molecular formula of 1-(3-benzyl-2-imino-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-3-(4-methoxyphenoxy)propan-2-ol hydrochloride is C24H26ClN3O3.
The molecular weight of 1-(3-benzyl-2-imino-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-3-(4-methoxyphenoxy)propan-2-ol hydrochloride is 439.16626 g/mol.
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