TL;DR: 1-(2-morpholin-4-ylethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzimidazol-2-amine dihydrochloride (CAS 1052412-48-2) is a chemical compound with molecular formula C23H32Cl2N4O4 and molecular weight 498.18005 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-morpholin-4-ylethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzimidazol-2-amine;dihydrochloride
Also Known As: 1-(2-morpholin-4-ylethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzimidazol-2-amine dihydrochloride, 1-(2-morpholin-4-ylethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzoimidazol-2-amine Dihydrochloride, 1-(2-morpholinoethyl)-N-(3,4,5-trimethoxybenzyl)-1H-benzo[d]imidazol-2-amine dihydrochloride
| Molecular Formula | C23H32Cl2N4O4 |
| Molecular Weight | 498.18005 g/mol |
| XLogP | 3.85 |
| Topological Polar Surface Area (TPSA) | 70.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 498.18005 Da |
| Heavy Atoms | 33 |
| Complexity | 522.0 |
| SMILES | COC1=CC(=CC(=C1OC)OC)CNC2=NC3=CC=CC=C3N2CCN4CCOCC4.Cl.Cl |
| InChIKey | JGHBLXNCLAQOGJ-UHFFFAOYSA-N |
The XLogP value of 3.85 indicates that 1-(2-morpholin-4-ylethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzimidazol-2-amine dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-morpholin-4-ylethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzimidazol-2-amine dihydrochloride. Following Lipinski's Rule of Five, 1-(2-morpholin-4-ylethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzimidazol-2-amine dihydrochloride has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-(2-morpholin-4-ylethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzimidazol-2-amine dihydrochloride is 1052412-48-2.
The molecular formula of 1-(2-morpholin-4-ylethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzimidazol-2-amine dihydrochloride is C23H32Cl2N4O4.
The molecular weight of 1-(2-morpholin-4-ylethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzimidazol-2-amine dihydrochloride is 498.18005 g/mol.
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