Benzimidazole, 1-(2-diethylaminoethyl)-5-nitro-2-piperidinoethyl-, hydrochloride
TL;DR: Benzimidazole, 1-(2-diethylaminoethyl)-5-nitro-2-piperidinoethyl-, hydrochloride (CAS 17817-85-5) is a chemical compound with molecular formula C20H32ClN5O2 and molecular weight 409.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethyl-2-[5-nitro-2-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]ethanamine chloride
Also Known As: 1-(2-Diethylaminoethyl)-5-nitro-2-piperidinoethylbenzimidazole hydrochloride, BENZIMIDAZOLE, 1-(2-DIETHYLAMINOETHYL)-5-NITRO-2-PIPERIDINOETHYL-, HYDROCHLORIDE, N-ETHYL-N-[2-[5-NITRO-2-(2-PIPERIDIN-1-IUM-1-YLETHYL)BENZIMIDAZOL-1-YL]ETHYL]ETHANAMINE CHLORIDE, N,N-diethyl-2-[5-nitro-2-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]ethanamine chloride, RefChem:325818
| Molecular Formula | C20H32ClN5O2 |
|---|---|
| Molecular Weight | 409.22 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 71.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 409.22446 |
| Heavy Atoms | 28 |
| Complexity | 462.0 |
Chemical Identifiers
| CAS Number | 17817-85-5 |
|---|---|
| SMILES | CCN(CC)CCN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1CC[NH+]3CCCCC3.[Cl-] |
| InChIKey | ZOVGGGKAWWQJOC-UHFFFAOYSA-N |
Product Overview
Benzimidazole, 1-(2-diethylaminoethyl)-5-nitro-2-piperidinoethyl-, hydrochloride (CAS 17817-85-5), with molecular formula C20H32ClN5O2 and molecular weight 409.22 g/mol. IUPAC: N,N-diethyl-2-[5-nitro-2-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]ethanamine chloride.
Chemical Property Profile of Benzimidazole, 1-(2-diethylaminoethyl)-5-nitro-2-piperidinoethyl-, hydrochloride
Property Insights of Benzimidazole, 1-(2-diethylaminoethyl)-5-nitro-2-piperidinoethyl-, hydrochloride
The XLogP value of -1.1 indicates that Benzimidazole, 1-(2-diethylaminoethyl)-5-nitro-2-piperidinoethyl-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 71.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzimidazole, 1-(2-diethylaminoethyl)-5-nitro-2-piperidinoethyl-, hydrochloride. Following Lipinski's Rule of Five, Benzimidazole, 1-(2-diethylaminoethyl)-5-nitro-2-piperidinoethyl-, hydrochloride has 1 hydrogen bond donor(s) and 5 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 Benzimidazole, 1-(2-diethylaminoethyl)-5-nitro-2-piperidinoethyl-, hydrochloride?
The CAS number of Benzimidazole, 1-(2-diethylaminoethyl)-5-nitro-2-piperidinoethyl-, hydrochloride is 17817-85-5.
What is the molecular formula of Benzimidazole, 1-(2-diethylaminoethyl)-5-nitro-2-piperidinoethyl-, hydrochloride?
The molecular formula of Benzimidazole, 1-(2-diethylaminoethyl)-5-nitro-2-piperidinoethyl-, hydrochloride is C20H32ClN5O2.
What is the molecular weight of Benzimidazole, 1-(2-diethylaminoethyl)-5-nitro-2-piperidinoethyl-, hydrochloride?
The molecular weight of Benzimidazole, 1-(2-diethylaminoethyl)-5-nitro-2-piperidinoethyl-, hydrochloride is 409.22 g/mol.
Where can I buy Benzimidazole, 1-(2-diethylaminoethyl)-5-nitro-2-piperidinoethyl-, hydrochloride?
You can request a quote for Benzimidazole, 1-(2-diethylaminoethyl)-5-nitro-2-piperidinoethyl-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzimidazole, 1-(2-diethylaminoethyl)-5-nitro-2-piperidinoethyl-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzimidazole, 1-(2-diethylaminoethyl)-5-nitro-2-piperidinoethyl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.