TL;DR: 1H-Benzimidazole, 2-(((1-(4-fluorophenyl)-1H-imidazol-2-yl)thio)methyl)- (CAS 123823-67-6) is a chemical compound with molecular formula C17H13FN4S and molecular weight 324.0845 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]-1H-benzimidazole
Also Known As: 1-(4'-Fluorophenyl)-2-(2'-benzimidazolyl)methylthioimidazole, 1H-Benzimidazole, 2-(((1-(4-fluorophenyl)-1H-imidazol-2-yl)thio)methyl)-, 2-(((1-(4-Fluorophenyl)-1H-imidazol-2-yl)thio)methyl)-1H-benzimidazole, 2-[[1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]-1H-benzimidazole, 2-({[1-(4-Fluorophenyl)-1H-imidazol-2-yl]sulfanyl}methyl)-1H-1,3-benzimidazole
| Molecular Formula | C17H13FN4S |
| Molecular Weight | 324.0845 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 71.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 324.0845 Da |
| Heavy Atoms | 23 |
| Complexity | 391.0 |
| SMILES | C1=CC=C2C(=C1)NC(=N2)CSC3=NC=CN3C4=CC=C(C=C4)F |
| InChIKey | HDQPTCMQQGBERL-UHFFFAOYSA-N |
The XLogP value of 3.7 indicates that 1H-Benzimidazole, 2-(((1-(4-fluorophenyl)-1H-imidazol-2-yl)thio)methyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Benzimidazole, 2-(((1-(4-fluorophenyl)-1H-imidazol-2-yl)thio)methyl)-. Following Lipinski's Rule of Five, 1H-Benzimidazole, 2-(((1-(4-fluorophenyl)-1H-imidazol-2-yl)thio)methyl)- has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1H-Benzimidazole, 2-(((1-(4-fluorophenyl)-1H-imidazol-2-yl)thio)methyl)- is 123823-67-6.
The molecular formula of 1H-Benzimidazole, 2-(((1-(4-fluorophenyl)-1H-imidazol-2-yl)thio)methyl)- is C17H13FN4S.
The molecular weight of 1H-Benzimidazole, 2-(((1-(4-fluorophenyl)-1H-imidazol-2-yl)thio)methyl)- is 324.0845 g/mol.
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