5-nitro-2-(piperidin-1-ylmethyl)-1H-benzimidazole
TL;DR: 5-nitro-2-(piperidin-1-ylmethyl)-1H-benzimidazole (CAS 99876-66-1) is a chemical compound with molecular formula C13H16N4O2 and molecular weight 260.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-nitro-2-(piperidin-1-ylmethyl)-1H-benzimidazole
Also Known As: BAS 03421262, 5-nitro-2-(piperidin-1-ylmethyl)-1H-benzimidazole, 6-nitro-2-(piperidin-1-ylmethyl)-1H-benzimidazole, 5-Nitro-2-piperidin-1-ylmethyl-1H-benzoimidazole, AH-034/34345060
| Molecular Formula | C13H16N4O2 |
|---|---|
| Molecular Weight | 260.13 g/mol |
| LogP | 2.457 |
| Topological Polar Surface Area | 75.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 260.12732 |
| Heavy Atoms | 19 |
| Complexity | 601.70905 |
Chemical Identifiers
| CAS Number | 99876-66-1 |
|---|---|
| SMILES | C1CCN(CC1)CC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-] |
Product Overview
5-nitro-2-(piperidin-1-ylmethyl)-1H-benzimidazole (CAS 99876-66-1), with molecular formula C13H16N4O2 and molecular weight 260.13 g/mol. IUPAC: 6-nitro-2-(piperidin-1-ylmethyl)-1H-benzimidazole.
Chemical Property Profile of 5-nitro-2-(piperidin-1-ylmethyl)-1H-benzimidazole
Property Insights of 5-nitro-2-(piperidin-1-ylmethyl)-1H-benzimidazole
The XLogP value of 2.457 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-nitro-2-(piperidin-1-ylmethyl)-1H-benzimidazole. The TPSA of 75.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-nitro-2-(piperidin-1-ylmethyl)-1H-benzimidazole. Following Lipinski's Rule of Five, 5-nitro-2-(piperidin-1-ylmethyl)-1H-benzimidazole has 1 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 5-nitro-2-(piperidin-1-ylmethyl)-1H-benzimidazole?
The CAS number of 5-nitro-2-(piperidin-1-ylmethyl)-1H-benzimidazole is 99876-66-1.
What is the molecular formula of 5-nitro-2-(piperidin-1-ylmethyl)-1H-benzimidazole?
The molecular formula of 5-nitro-2-(piperidin-1-ylmethyl)-1H-benzimidazole is C13H16N4O2.
What is the molecular weight of 5-nitro-2-(piperidin-1-ylmethyl)-1H-benzimidazole?
The molecular weight of 5-nitro-2-(piperidin-1-ylmethyl)-1H-benzimidazole is 260.13 g/mol.
Where can I buy 5-nitro-2-(piperidin-1-ylmethyl)-1H-benzimidazole?
You can request a quote for 5-nitro-2-(piperidin-1-ylmethyl)-1H-benzimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-nitro-2-(piperidin-1-ylmethyl)-1H-benzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 5-nitro-2-(piperidin-1-ylmethyl)-1H-benzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.