TL;DR: 1H-Imidazole, 4-((2,4-dimethylphenyl)methyl)-, monohydrochloride (CAS 91874-42-9) is a chemical compound with molecular formula C12H15ClN2 and molecular weight 222.09238 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[(2,4-dimethylphenyl)methyl]-1H-imidazole;hydrochloride
Also Known As: 4-(2',4'-Dimethylbenzyl)imidazole hydrochloride, 1H-Imidazole, 4-((2,4-dimethylphenyl)methyl)-, monohydrochloride, 4-((2,4-Dimethylphenyl)methyl)-1H-imidazole hydrochloride, 5-[(2,4-dimethylphenyl)methyl]-1H-imidazole hydrochloride, 5-[(2,4-dimethylphenyl)methyl]-1H-imidazole,hydrochloride
| Molecular Formula | C12H15ClN2 |
| Molecular Weight | 222.09238 g/mol |
| XLogP | 3.03914 |
| Topological Polar Surface Area (TPSA) | 28.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.09238 Da |
| Heavy Atoms | 15 |
| Complexity | 181.0 |
| SMILES | CC1=CC(=C(C=C1)CC2=CN=CN2)C.Cl |
| InChIKey | VNTOMYXCSBENNI-UHFFFAOYSA-N |
The XLogP value of 3.03914 indicates that 1H-Imidazole, 4-((2,4-dimethylphenyl)methyl)-, monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.7 Ų, 1H-Imidazole, 4-((2,4-dimethylphenyl)methyl)-, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Imidazole, 4-((2,4-dimethylphenyl)methyl)-, monohydrochloride has 2 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1H-Imidazole, 4-((2,4-dimethylphenyl)methyl)-, monohydrochloride is 91874-42-9.
The molecular formula of 1H-Imidazole, 4-((2,4-dimethylphenyl)methyl)-, monohydrochloride is C12H15ClN2.
The molecular weight of 1H-Imidazole, 4-((2,4-dimethylphenyl)methyl)-, monohydrochloride is 222.09238 g/mol.
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