1-Allyl-2-methyl-4-nitro-1H-imidazole
TL;DR: 1-Allyl-2-methyl-4-nitro-1H-imidazole (CAS 135009-58-4) is a chemical compound with molecular formula C7H9N3O2 and molecular weight 167.06947 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methyl-4-nitro-1-prop-2-enylimidazole
Also Known As: Maybridge1_006681, 1-Allyl-2-methyl-4-nitro-1H-imidazole, 2-methyl-4-nitro-1-prop-2-enylimidazole, 1-(2-Propenyl)-2-methyl-4-nitro-1H-imidazole, 2-methyl-4-nitro-1-(prop-2-en-1-yl)-1H-imidazole
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H9N3O2 |
| Molecular Weight | 167.06947 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 63.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 167.06947 Da |
| Heavy Atoms | 12 |
| Complexity | 190.0 |
| SMILES | CC1=NC(=CN1CC=C)[N+](=O)[O-] |
| InChIKey | NSPRVKRGZZVZLX-UHFFFAOYSA-N |
Chemical Property Profile of 1-Allyl-2-methyl-4-nitro-1H-imidazole
Property Insights of 1-Allyl-2-methyl-4-nitro-1H-imidazole
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Allyl-2-methyl-4-nitro-1H-imidazole. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Allyl-2-methyl-4-nitro-1H-imidazole. Following Lipinski's Rule of Five, 1-Allyl-2-methyl-4-nitro-1H-imidazole has 0 hydrogen bond donor(s) and 3 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-Allyl-2-methyl-4-nitro-1H-imidazole?
The CAS number of 1-Allyl-2-methyl-4-nitro-1H-imidazole is 135009-58-4.
What is the molecular formula of 1-Allyl-2-methyl-4-nitro-1H-imidazole?
The molecular formula of 1-Allyl-2-methyl-4-nitro-1H-imidazole is C7H9N3O2.
What is the molecular weight of 1-Allyl-2-methyl-4-nitro-1H-imidazole?
The molecular weight of 1-Allyl-2-methyl-4-nitro-1H-imidazole is 167.06947 g/mol.
Where can I buy 1-Allyl-2-methyl-4-nitro-1H-imidazole?
You can request a quote for 1-Allyl-2-methyl-4-nitro-1H-imidazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Allyl-2-methyl-4-nitro-1H-imidazole?
Yes, CoreyChem provides custom synthesis services for 1-Allyl-2-methyl-4-nitro-1H-imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.