TL;DR: 1-(2-imino-3-(2-morpholinoethyl)-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-3-(o-tolyloxy)propan-2-ol hydrochloride (CAS 1052516-54-7) is a chemical compound with molecular formula C23H31ClN4O3 and molecular weight 446.20847 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]-3-(2-methylphenoxy)propan-2-ol;hydrochloride
Also Known As: 1-(2-imino-3-(2-morpholinoethyl)-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-3-(o-tolyloxy)propan-2-ol hydrochloride, 1-[2-Imino-3-(2-morpholin-4-yl-ethyl)-2,3-dihydro-benzoimidazol-1-yl]-3-o-tolyloxy-propan-2-ol, 1-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]-3-(2-methylphenoxy)propan-2-ol hydrochloride, REGID_for_CID_5307363
| Molecular Formula | C23H31ClN4O3 |
| Molecular Weight | 446.20847 g/mol |
| XLogP | 2.42459 |
| Topological Polar Surface Area (TPSA) | 72.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 446.20847 Da |
| Heavy Atoms | 31 |
| Complexity | 557.0 |
| SMILES | CC1=CC=CC=C1OCC(CN2C3=CC=CC=C3N(C2=N)CCN4CCOCC4)O.Cl |
| InChIKey | UJVOXTAJGPRYDS-UHFFFAOYSA-N |
The XLogP value of 2.42459 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-imino-3-(2-morpholinoethyl)-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-3-(o-tolyloxy)propan-2-ol hydrochloride. The TPSA of 72.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-imino-3-(2-morpholinoethyl)-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-3-(o-tolyloxy)propan-2-ol hydrochloride. Following Lipinski's Rule of Five, 1-(2-imino-3-(2-morpholinoethyl)-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-3-(o-tolyloxy)propan-2-ol hydrochloride has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-(2-imino-3-(2-morpholinoethyl)-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-3-(o-tolyloxy)propan-2-ol hydrochloride is 1052516-54-7.
The molecular formula of 1-(2-imino-3-(2-morpholinoethyl)-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-3-(o-tolyloxy)propan-2-ol hydrochloride is C23H31ClN4O3.
The molecular weight of 1-(2-imino-3-(2-morpholinoethyl)-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-3-(o-tolyloxy)propan-2-ol hydrochloride is 446.20847 g/mol.
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