TL;DR: 1H-Imidazole, 4-(((2-(bis(4-fluorophenyl)methoxy)ethyl)thio)methyl)-5-methyl-, ethanedioate, (1:1) (CAS 131028-67-6) is a chemical compound with molecular formula C22H22F2N2O5S and molecular weight 464.12173 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[2-[bis(4-fluorophenyl)methoxy]ethylsulfanylmethyl]-5-methyl-1H-imidazole;oxalic acid
Also Known As: 1H-Imidazole, 4-(((2-(bis(4-fluorophenyl)methoxy)ethyl)thio)methyl)-5-methyl-, ethanedioate, (1:1), 4-[2-[bis(4-fluorophenyl)methoxy]ethylsulfanylmethyl]-5-methyl-1H-imidazole; oxalic acid, Oxalic acid--4-[({2-[bis(4-fluorophenyl)methoxy]ethyl}sulfanyl)methyl]-5-methyl-1H-imidazole (1/1)
| Molecular Formula | C22H22F2N2O5S |
| Molecular Weight | 464.12173 g/mol |
| XLogP | 4.19132 |
| Topological Polar Surface Area (TPSA) | 138.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 464.12173 Da |
| Heavy Atoms | 32 |
| Complexity | 451.0 |
| SMILES | CC1=C(N=CN1)CSCCOC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F.C(=O)(C(=O)O)O |
| InChIKey | JLVPGNFECAZGKR-UHFFFAOYSA-N |
The XLogP value of 4.19132 indicates that 1H-Imidazole, 4-(((2-(bis(4-fluorophenyl)methoxy)ethyl)thio)methyl)-5-methyl-, ethanedioate, (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Imidazole, 4-(((2-(bis(4-fluorophenyl)methoxy)ethyl)thio)methyl)-5-methyl-, ethanedioate, (1:1). Following Lipinski's Rule of Five, 1H-Imidazole, 4-(((2-(bis(4-fluorophenyl)methoxy)ethyl)thio)methyl)-5-methyl-, ethanedioate, (1:1) has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1H-Imidazole, 4-(((2-(bis(4-fluorophenyl)methoxy)ethyl)thio)methyl)-5-methyl-, ethanedioate, (1:1) is 131028-67-6.
The molecular formula of 1H-Imidazole, 4-(((2-(bis(4-fluorophenyl)methoxy)ethyl)thio)methyl)-5-methyl-, ethanedioate, (1:1) is C22H22F2N2O5S.
The molecular weight of 1H-Imidazole, 4-(((2-(bis(4-fluorophenyl)methoxy)ethyl)thio)methyl)-5-methyl-, ethanedioate, (1:1) is 464.12173 g/mol.
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