5-Nitro-1-phenylbenzimidazole
TL;DR: 5-Nitro-1-phenylbenzimidazole (CAS 15127-88-5) is a chemical compound with molecular formula C13H9N3O2 and molecular weight 239.06947 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-nitro-1-phenylbenzimidazole
Also Known As: 5-nitro-1-phenylbenzimidazole, 5-nitro-1-phenyl-1H-benzimidazole, 1H-Benzimidazole, 5-nitro-1-phenyl-, 5-nitro-1-phenyl-1H-1,3-benzodiazole, 5-nitro-1-phenyl-benzimidazole
Technical Specifications
| Molecular Formula | C13H9N3O2 |
| Molecular Weight | 239.06947 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 63.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 239.06947 Da |
| Heavy Atoms | 18 |
| Complexity | 312.0 |
| SMILES | C1=CC=C(C=C1)N2C=NC3=C2C=CC(=C3)[N+](=O)[O-] |
| InChIKey | YXIZJJZDLDWOFR-UHFFFAOYSA-N |
Chemical Property Profile of 5-Nitro-1-phenylbenzimidazole
Property Insights of 5-Nitro-1-phenylbenzimidazole
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Nitro-1-phenylbenzimidazole. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Nitro-1-phenylbenzimidazole. Following Lipinski's Rule of Five, 5-Nitro-1-phenylbenzimidazole 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 5-Nitro-1-phenylbenzimidazole?
The CAS number of 5-Nitro-1-phenylbenzimidazole is 15127-88-5.
What is the molecular formula of 5-Nitro-1-phenylbenzimidazole?
The molecular formula of 5-Nitro-1-phenylbenzimidazole is C13H9N3O2.
What is the molecular weight of 5-Nitro-1-phenylbenzimidazole?
The molecular weight of 5-Nitro-1-phenylbenzimidazole is 239.06947 g/mol.
Where can I buy 5-Nitro-1-phenylbenzimidazole?
You can request a quote for 5-Nitro-1-phenylbenzimidazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Nitro-1-phenylbenzimidazole?
Yes, CoreyChem provides custom synthesis services for 5-Nitro-1-phenylbenzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.