N-(1-methyl-2-(2-(4-(p-tolyl)piperazin-1-yl)ethyl)-1H-benzo[d]imidazol-5-yl)-2-(4-nitrophenoxy)acetamide
TL;DR: N-(1-methyl-2-(2-(4-(p-tolyl)piperazin-1-yl)ethyl)-1H-benzo[d]imidazol-5-yl)-2-(4-nitrophenoxy)acetamide (CAS 879445-30-4) is a chemical compound with molecular formula C29H32N6O4 and molecular weight 528.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-methyl-2-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]benzimidazol-5-yl]-2-(4-nitrophenoxy)acetamide
Also Known As: N-(1-methyl-2-(2-(4-(p-tolyl)piperazin-1-yl)ethyl)-1H-benzo[d]imidazol-5-yl)-2-(4-nitrophenoxy)acetamide, N-(1-methyl-2-{2-[4-(4-methylphenyl)piperazin-1-yl]ethyl}-1H-benzimidazol-5-yl)-2-(4-nitrophenoxy)acetamide, N-[1-methyl-2-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]benzimidazol-5-yl]-2-(4-nitrophenoxy)acetamide
| Molecular Formula | C29H32N6O4 |
|---|---|
| Molecular Weight | 528.25 g/mol |
| LogP | 4.17212 |
| Topological Polar Surface Area | 105.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 528.2485 |
| Heavy Atoms | 39 |
| Complexity | 1457.9218 |
Chemical Identifiers
| CAS Number | 879445-30-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2CCN(CC2)CCC3=NC4=C(N3C)C=CC(=C4)NC(=O)COC5=CC=C(C=C5)[N+](=O)[O-] |
Product Overview
N-(1-methyl-2-(2-(4-(p-tolyl)piperazin-1-yl)ethyl)-1H-benzo[d]imidazol-5-yl)-2-(4-nitrophenoxy)acetamide (CAS 879445-30-4), with molecular formula C29H32N6O4 and molecular weight 528.25 g/mol. IUPAC: N-[1-methyl-2-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]benzimidazol-5-yl]-2-(4-nitrophenoxy)acetamide.
Chemical Property Profile of N-(1-methyl-2-(2-(4-(p-tolyl)piperazin-1-yl)ethyl)-1H-benzo[d]imidazol-5-yl)-2-(4-nitrophenoxy)acetamide
Property Insights of N-(1-methyl-2-(2-(4-(p-tolyl)piperazin-1-yl)ethyl)-1H-benzo[d]imidazol-5-yl)-2-(4-nitrophenoxy)acetamide
The XLogP value of 4.17212 indicates that N-(1-methyl-2-(2-(4-(p-tolyl)piperazin-1-yl)ethyl)-1H-benzo[d]imidazol-5-yl)-2-(4-nitrophenoxy)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.77 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1-methyl-2-(2-(4-(p-tolyl)piperazin-1-yl)ethyl)-1H-benzo[d]imidazol-5-yl)-2-(4-nitrophenoxy)acetamide. Following Lipinski's Rule of Five, N-(1-methyl-2-(2-(4-(p-tolyl)piperazin-1-yl)ethyl)-1H-benzo[d]imidazol-5-yl)-2-(4-nitrophenoxy)acetamide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(1-methyl-2-(2-(4-(p-tolyl)piperazin-1-yl)ethyl)-1H-benzo[d]imidazol-5-yl)-2-(4-nitrophenoxy)acetamide?
The CAS number of N-(1-methyl-2-(2-(4-(p-tolyl)piperazin-1-yl)ethyl)-1H-benzo[d]imidazol-5-yl)-2-(4-nitrophenoxy)acetamide is 879445-30-4.
What is the molecular formula of N-(1-methyl-2-(2-(4-(p-tolyl)piperazin-1-yl)ethyl)-1H-benzo[d]imidazol-5-yl)-2-(4-nitrophenoxy)acetamide?
The molecular formula of N-(1-methyl-2-(2-(4-(p-tolyl)piperazin-1-yl)ethyl)-1H-benzo[d]imidazol-5-yl)-2-(4-nitrophenoxy)acetamide is C29H32N6O4.
What is the molecular weight of N-(1-methyl-2-(2-(4-(p-tolyl)piperazin-1-yl)ethyl)-1H-benzo[d]imidazol-5-yl)-2-(4-nitrophenoxy)acetamide?
The molecular weight of N-(1-methyl-2-(2-(4-(p-tolyl)piperazin-1-yl)ethyl)-1H-benzo[d]imidazol-5-yl)-2-(4-nitrophenoxy)acetamide is 528.25 g/mol.
Where can I buy N-(1-methyl-2-(2-(4-(p-tolyl)piperazin-1-yl)ethyl)-1H-benzo[d]imidazol-5-yl)-2-(4-nitrophenoxy)acetamide?
You can request a quote for N-(1-methyl-2-(2-(4-(p-tolyl)piperazin-1-yl)ethyl)-1H-benzo[d]imidazol-5-yl)-2-(4-nitrophenoxy)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1-methyl-2-(2-(4-(p-tolyl)piperazin-1-yl)ethyl)-1H-benzo[d]imidazol-5-yl)-2-(4-nitrophenoxy)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1-methyl-2-(2-(4-(p-tolyl)piperazin-1-yl)ethyl)-1H-benzo[d]imidazol-5-yl)-2-(4-nitrophenoxy)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.