4(5)-2-(2,6-Dimethylphenyl)ethylimidazole
TL;DR: 4(5)-2-(2,6-Dimethylphenyl)ethylimidazole (CAS 840-59-5) is a chemical compound with molecular formula C13H16N2 and molecular weight 200.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(2,6-dimethylphenyl)ethyl]-1H-imidazole
Also Known As: Mpv 295, 4(5)-2-(2,6-Dimethylphenyl)ethylimidazole, 4-[2-(2,6-dimethylphenyl)ethyl]-1h-imidazole, 5-[2-(2,6-dimethylphenyl)ethyl]-1H-imidazole, PDSP1_001660
| Molecular Formula | C13H16N2 |
|---|---|
| Molecular Weight | 200.13 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 28.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 200.13135 |
| Heavy Atoms | 15 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 840-59-5 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)CCC2=CN=CN2 |
| InChIKey | WRAZSLKGTVFTSN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4(5)-2-(2,6-Dimethylphenyl)ethylimidazole (CAS 840-59-5), with molecular formula C13H16N2 and molecular weight 200.13 g/mol. IUPAC: 5-[2-(2,6-dimethylphenyl)ethyl]-1H-imidazole.
Chemical Property Profile of 4(5)-2-(2,6-Dimethylphenyl)ethylimidazole
Property Insights of 4(5)-2-(2,6-Dimethylphenyl)ethylimidazole
The XLogP value of 3.0 indicates that 4(5)-2-(2,6-Dimethylphenyl)ethylimidazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.7 Ų, 4(5)-2-(2,6-Dimethylphenyl)ethylimidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4(5)-2-(2,6-Dimethylphenyl)ethylimidazole has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4(5)-2-(2,6-Dimethylphenyl)ethylimidazole?
The CAS number of 4(5)-2-(2,6-Dimethylphenyl)ethylimidazole is 840-59-5.
What is the molecular formula of 4(5)-2-(2,6-Dimethylphenyl)ethylimidazole?
The molecular formula of 4(5)-2-(2,6-Dimethylphenyl)ethylimidazole is C13H16N2.
What is the molecular weight of 4(5)-2-(2,6-Dimethylphenyl)ethylimidazole?
The molecular weight of 4(5)-2-(2,6-Dimethylphenyl)ethylimidazole is 200.13 g/mol.
Where can I buy 4(5)-2-(2,6-Dimethylphenyl)ethylimidazole?
You can request a quote for 4(5)-2-(2,6-Dimethylphenyl)ethylimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4(5)-2-(2,6-Dimethylphenyl)ethylimidazole?
Yes, KEHONG BIO provides custom synthesis services for 4(5)-2-(2,6-Dimethylphenyl)ethylimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.