1-methyl-5-(2-phenylethynyl)-1H-imidazole
TL;DR: 1-methyl-5-(2-phenylethynyl)-1H-imidazole (CAS 111600-95-4) is a chemical compound with molecular formula C12H10N2 and molecular weight 182.0844 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-methyl-5-(2-phenylethynyl)imidazole
Also Known As: 1-methyl-5-(2-phenylethynyl)imidazole, 1H-Imidazole, 1-methyl-5-(2-phenylethynyl)-, 1-methyl-5-(2-phenylethynyl)-1H-imidazole, F2167-5358
Technical Specifications
| Molecular Formula | C12H10N2 |
| Molecular Weight | 182.0844 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 17.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 182.0844 Da |
| Heavy Atoms | 14 |
| Complexity | 242.0 |
| SMILES | CN1C=NC=C1C#CC2=CC=CC=C2 |
| InChIKey | NMVDYHCVYLHJGV-UHFFFAOYSA-N |
Chemical Property Profile of 1-methyl-5-(2-phenylethynyl)-1H-imidazole
Property Insights of 1-methyl-5-(2-phenylethynyl)-1H-imidazole
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-methyl-5-(2-phenylethynyl)-1H-imidazole. With a topological polar surface area (TPSA) of 17.8 Ų, 1-methyl-5-(2-phenylethynyl)-1H-imidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-methyl-5-(2-phenylethynyl)-1H-imidazole has 0 hydrogen bond donor(s) and 1 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-methyl-5-(2-phenylethynyl)-1H-imidazole?
The CAS number of 1-methyl-5-(2-phenylethynyl)-1H-imidazole is 111600-95-4.
What is the molecular formula of 1-methyl-5-(2-phenylethynyl)-1H-imidazole?
The molecular formula of 1-methyl-5-(2-phenylethynyl)-1H-imidazole is C12H10N2.
What is the molecular weight of 1-methyl-5-(2-phenylethynyl)-1H-imidazole?
The molecular weight of 1-methyl-5-(2-phenylethynyl)-1H-imidazole is 182.0844 g/mol.
Where can I buy 1-methyl-5-(2-phenylethynyl)-1H-imidazole?
You can request a quote for 1-methyl-5-(2-phenylethynyl)-1H-imidazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-methyl-5-(2-phenylethynyl)-1H-imidazole?
Yes, CoreyChem provides custom synthesis services for 1-methyl-5-(2-phenylethynyl)-1H-imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.