2-Tert-butyl-5-nitro-1h-benzimidazole
TL;DR: 2-Tert-butyl-5-nitro-1h-benzimidazole (CAS 102516-88-1) is a chemical compound with molecular formula C11H13N3O2 and molecular weight 219.10077 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-tert-butyl-6-nitro-1H-benzimidazole
Also Known As: ML112 Analog, 2-tert-butyl-5-nitrobenzimidazole, 2-tert-butyl-5-nitro-1h-benzimidazole, 2-tert-Butyl-5(or 6)-nitrobenzimidazole, 2-tert-butyl-6-nitro-1H-benzimidazole
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H13N3O2 |
| Molecular Weight | 219.10077 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 74.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 219.10077 Da |
| Heavy Atoms | 16 |
| Complexity | 282.0 |
| SMILES | CC(C)(C)C1=NC2=C(N1)C=C(C=C2)[N+](=O)[O-] |
| InChIKey | GCTRLJKQRNSIOZ-UHFFFAOYSA-N |
Chemical Property Profile of 2-Tert-butyl-5-nitro-1h-benzimidazole
Property Insights of 2-Tert-butyl-5-nitro-1h-benzimidazole
The XLogP value of 3.5 indicates that 2-Tert-butyl-5-nitro-1h-benzimidazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Tert-butyl-5-nitro-1h-benzimidazole. Following Lipinski's Rule of Five, 2-Tert-butyl-5-nitro-1h-benzimidazole has 1 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 2-Tert-butyl-5-nitro-1h-benzimidazole?
The CAS number of 2-Tert-butyl-5-nitro-1h-benzimidazole is 102516-88-1.
What is the molecular formula of 2-Tert-butyl-5-nitro-1h-benzimidazole?
The molecular formula of 2-Tert-butyl-5-nitro-1h-benzimidazole is C11H13N3O2.
What is the molecular weight of 2-Tert-butyl-5-nitro-1h-benzimidazole?
The molecular weight of 2-Tert-butyl-5-nitro-1h-benzimidazole is 219.10077 g/mol.
Where can I buy 2-Tert-butyl-5-nitro-1h-benzimidazole?
You can request a quote for 2-Tert-butyl-5-nitro-1h-benzimidazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Tert-butyl-5-nitro-1h-benzimidazole?
Yes, CoreyChem provides custom synthesis services for 2-Tert-butyl-5-nitro-1h-benzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.