1-(2-Propyn-1-yl)-2-(trifluoromethyl)-1H-benzimidazole
TL;DR: 1-(2-Propyn-1-yl)-2-(trifluoromethyl)-1H-benzimidazole (CAS 139591-04-1) is a chemical compound with molecular formula C11H7F3N2 and molecular weight 224.05614 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-prop-2-ynyl-2-(trifluoromethyl)benzimidazole
Also Known As: 1-(prop-2-yn-1-yl)-2-(trifluoromethyl)-1H-1,3-benzodiazole, 1-(2-propynyl)-2-(trifluoromethyl)-1H-1,3-benzimidazole, 1-prop-2-ynyl-2-(trifluoromethyl)benzimidazole, 1-Prop-2-ynyl-2-trifluoromethyl-1H-benzoimidazole, 2R-1502
Technical Specifications
| Molecular Formula | C11H7F3N2 |
| Molecular Weight | 224.05614 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 17.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 224.05614 Da |
| Heavy Atoms | 16 |
| Complexity | 304.0 |
| SMILES | C#CCN1C2=CC=CC=C2N=C1C(F)(F)F |
| InChIKey | BGVAOBAJEPPXHE-UHFFFAOYSA-N |
Chemical Property Profile of 1-(2-Propyn-1-yl)-2-(trifluoromethyl)-1H-benzimidazole
Property Insights of 1-(2-Propyn-1-yl)-2-(trifluoromethyl)-1H-benzimidazole
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Propyn-1-yl)-2-(trifluoromethyl)-1H-benzimidazole. With a topological polar surface area (TPSA) of 17.8 Ų, 1-(2-Propyn-1-yl)-2-(trifluoromethyl)-1H-benzimidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Propyn-1-yl)-2-(trifluoromethyl)-1H-benzimidazole has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-(2-Propyn-1-yl)-2-(trifluoromethyl)-1H-benzimidazole?
The CAS number of 1-(2-Propyn-1-yl)-2-(trifluoromethyl)-1H-benzimidazole is 139591-04-1.
What is the molecular formula of 1-(2-Propyn-1-yl)-2-(trifluoromethyl)-1H-benzimidazole?
The molecular formula of 1-(2-Propyn-1-yl)-2-(trifluoromethyl)-1H-benzimidazole is C11H7F3N2.
What is the molecular weight of 1-(2-Propyn-1-yl)-2-(trifluoromethyl)-1H-benzimidazole?
The molecular weight of 1-(2-Propyn-1-yl)-2-(trifluoromethyl)-1H-benzimidazole is 224.05614 g/mol.
Where can I buy 1-(2-Propyn-1-yl)-2-(trifluoromethyl)-1H-benzimidazole?
You can request a quote for 1-(2-Propyn-1-yl)-2-(trifluoromethyl)-1H-benzimidazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(2-Propyn-1-yl)-2-(trifluoromethyl)-1H-benzimidazole?
Yes, CoreyChem provides custom synthesis services for 1-(2-Propyn-1-yl)-2-(trifluoromethyl)-1H-benzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.