TL;DR: Benzenamine, N,N-dimethyl-2-(((1-(4-methoxyphenyl)-1H-imidazol-2-yl)thio)methyl)-, dihydrochloride (CAS 123842-24-0) is a chemical compound with molecular formula C19H23Cl2N3OS and molecular weight 411.0939 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-N,N-dimethylaniline;dihydrochloride
Also Known As: Benzenamine, N,N-dimethyl-2-(((1-(4-methoxyphenyl)-1H-imidazol-2-yl)thio)methyl)-, dihydrochloride, 1-(4'-Methoxyphenyl)-2-(2'(N,N-dimethylanilyl)methylthio)imidazole dihydrochloride, 1-(4'-Methoxyphenyl)-2-(2'(N,N-dimethylanilyl)mehylthio)imidazole dihydrochloride, 2-[[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-N,N-dimethylaniline dihydrochloride, 2-({[1-(4-Methoxyphenyl)-1H-imidazol-2-yl]sulfanyl}methyl)-N,N-dimethylaniline--hydrogen chloride (1/2)
| Molecular Formula | C19H23Cl2N3OS |
| Molecular Weight | 411.0939 g/mol |
| XLogP | 5.0828 |
| Topological Polar Surface Area (TPSA) | 55.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 411.0939 Da |
| Heavy Atoms | 26 |
| Complexity | 374.0 |
| SMILES | CN(C)C1=CC=CC=C1CSC2=NC=CN2C3=CC=C(C=C3)OC.Cl.Cl |
| InChIKey | ZVNRJQWIUAIUNW-UHFFFAOYSA-N |
The XLogP value of 5.0828 indicates that Benzenamine, N,N-dimethyl-2-(((1-(4-methoxyphenyl)-1H-imidazol-2-yl)thio)methyl)-, dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.6 Ų, Benzenamine, N,N-dimethyl-2-(((1-(4-methoxyphenyl)-1H-imidazol-2-yl)thio)methyl)-, dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenamine, N,N-dimethyl-2-(((1-(4-methoxyphenyl)-1H-imidazol-2-yl)thio)methyl)-, dihydrochloride has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Benzenamine, N,N-dimethyl-2-(((1-(4-methoxyphenyl)-1H-imidazol-2-yl)thio)methyl)-, dihydrochloride is 123842-24-0.
The molecular formula of Benzenamine, N,N-dimethyl-2-(((1-(4-methoxyphenyl)-1H-imidazol-2-yl)thio)methyl)-, dihydrochloride is C19H23Cl2N3OS.
The molecular weight of Benzenamine, N,N-dimethyl-2-(((1-(4-methoxyphenyl)-1H-imidazol-2-yl)thio)methyl)-, dihydrochloride is 411.0939 g/mol.
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