TL;DR: 2-(heptylthio)-1H-benzo[d]imidazole (CAS 143966-20-5) is a chemical compound with molecular formula C14H20N2S and molecular weight 248.13472 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-heptylsulfanyl-1H-benzimidazole
Also Known As: 2-(heptylthio)-1H-benzo[d]imidazole, 2-heptylsulfanyl-1H-benzimidazole, 2-(HEPTYLSULFANYL)-1H-1,3-BENZODIAZOLE, 2-heptylsulfanyl-1H-benzoimidazole, 2-(heptylthio)-1H-1,3-benzimidazole
| Molecular Formula | C14H20N2S |
| Molecular Weight | 248.13472 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 54.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 248.13472 Da |
| Heavy Atoms | 17 |
| Complexity | 210.0 |
| SMILES | CCCCCCCSC1=NC2=CC=CC=C2N1 |
| InChIKey | WXXMCRNIEVMWKH-UHFFFAOYSA-N |
The XLogP value of 5.0 indicates that 2-(heptylthio)-1H-benzo[d]imidazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.0 Ų, 2-(heptylthio)-1H-benzo[d]imidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(heptylthio)-1H-benzo[d]imidazole has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-(heptylthio)-1H-benzo[d]imidazole is 143966-20-5.
The molecular formula of 2-(heptylthio)-1H-benzo[d]imidazole is C14H20N2S.
The molecular weight of 2-(heptylthio)-1H-benzo[d]imidazole is 248.13472 g/mol.
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