1-Methyl-3-(5-nitropyridin-2-yl)benzimidazol-1-ium;iodide
TL;DR: 1-Methyl-3-(5-nitropyridin-2-yl)benzimidazol-1-ium;iodide (CAS 1035452-45-9) is a chemical compound with molecular formula C13H11IN4O2 and molecular weight 381.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-3-(5-nitro-2-pyridinyl)benzimidazol-1-ium iodide
Also Known As: 1-methyl-3-(5-nitropyridin-2-yl)benzimidazol-1-ium;iodide, 1-methyl-3-(5-nitro-2-pyridyl)benzimidazol-1-ium iodide, 1-methyl-3-(5-nitropyridin-2-yl)benzimidazol-1-ium iodide
| Molecular Formula | C13H11IN4O2 |
|---|---|
| Molecular Weight | 381.99 g/mol |
| LogP | -1.2378 |
| Topological Polar Surface Area | 67.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 381.99268 |
| Heavy Atoms | 20 |
| Complexity | 346.0 |
Chemical Identifiers
| CAS Number | 1035452-45-9 |
|---|---|
| SMILES | C[N+]1=CN(C2=CC=CC=C21)C3=NC=C(C=C3)[N+](=O)[O-].[I-] |
| InChIKey | GJDIRQPEZCCGRR-UHFFFAOYSA-M |
Product Overview
1-Methyl-3-(5-nitropyridin-2-yl)benzimidazol-1-ium;iodide (CAS 1035452-45-9), with molecular formula C13H11IN4O2 and molecular weight 381.99 g/mol. IUPAC: 1-methyl-3-(5-nitro-2-pyridinyl)benzimidazol-1-ium iodide.
Chemical Property Profile of 1-Methyl-3-(5-nitropyridin-2-yl)benzimidazol-1-ium;iodide
Property Insights of 1-Methyl-3-(5-nitropyridin-2-yl)benzimidazol-1-ium;iodide
The XLogP value of -1.2378 indicates that 1-Methyl-3-(5-nitropyridin-2-yl)benzimidazol-1-ium;iodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 67.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methyl-3-(5-nitropyridin-2-yl)benzimidazol-1-ium;iodide. Following Lipinski's Rule of Five, 1-Methyl-3-(5-nitropyridin-2-yl)benzimidazol-1-ium;iodide 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
Frequently Asked Questions
What is the CAS number of 1-Methyl-3-(5-nitropyridin-2-yl)benzimidazol-1-ium;iodide?
The CAS number of 1-Methyl-3-(5-nitropyridin-2-yl)benzimidazol-1-ium;iodide is 1035452-45-9.
What is the molecular formula of 1-Methyl-3-(5-nitropyridin-2-yl)benzimidazol-1-ium;iodide?
The molecular formula of 1-Methyl-3-(5-nitropyridin-2-yl)benzimidazol-1-ium;iodide is C13H11IN4O2.
What is the molecular weight of 1-Methyl-3-(5-nitropyridin-2-yl)benzimidazol-1-ium;iodide?
The molecular weight of 1-Methyl-3-(5-nitropyridin-2-yl)benzimidazol-1-ium;iodide is 381.99 g/mol.
Where can I buy 1-Methyl-3-(5-nitropyridin-2-yl)benzimidazol-1-ium;iodide?
You can request a quote for 1-Methyl-3-(5-nitropyridin-2-yl)benzimidazol-1-ium;iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-3-(5-nitropyridin-2-yl)benzimidazol-1-ium;iodide?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-3-(5-nitropyridin-2-yl)benzimidazol-1-ium;iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.