![N-[1-(1H-benzimidazol-2-yl)butyl]-3,5-dinitrobenzamide structure](/static/products/748/748778-95-2.png)
N-[1-(1H-benzimidazol-2-yl)butyl]-3,5-dinitrobenzamide
TL;DR: N-[1-(1H-benzimidazol-2-yl)butyl]-3,5-dinitrobenzamide (CAS 748778-95-2) is a chemical compound with molecular formula C18H17N5O5 and molecular weight 383.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-(1H-benzimidazol-2-yl)butyl]-3,5-dinitrobenzamide
Also Known As: N-[1-(1H-benzimidazol-2-yl)butyl]-3,5-dinitrobenzamide, N-[1-(1H-benzoimidazol-2-yl)butyl]-3,5-dinitro-benzamide, N-(1-(1H-benzo[d]imidazol-2-yl)butyl)-3,5-dinitrobenzamide
| Molecular Formula | C18H17N5O5 |
|---|---|
| Molecular Weight | 383.12 g/mol |
| LogP | 3.6505 |
| Topological Polar Surface Area | 144.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 383.12296 |
| Heavy Atoms | 28 |
| Complexity | 996.2059 |
Chemical Identifiers
| CAS Number | 748778-95-2 |
|---|---|
| SMILES | CCCC(C1=NC2=CC=CC=C2N1)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
N-[1-(1H-benzimidazol-2-yl)butyl]-3,5-dinitrobenzamide (CAS 748778-95-2), with molecular formula C18H17N5O5 and molecular weight 383.12 g/mol. IUPAC: N-[1-(1H-benzimidazol-2-yl)butyl]-3,5-dinitrobenzamide.
Chemical Property Profile of N-[1-(1H-benzimidazol-2-yl)butyl]-3,5-dinitrobenzamide
Property Insights of N-[1-(1H-benzimidazol-2-yl)butyl]-3,5-dinitrobenzamide
The XLogP value of 3.6505 indicates that N-[1-(1H-benzimidazol-2-yl)butyl]-3,5-dinitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 144.06 Ų indicates high polarity, suggesting N-[1-(1H-benzimidazol-2-yl)butyl]-3,5-dinitrobenzamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-[1-(1H-benzimidazol-2-yl)butyl]-3,5-dinitrobenzamide has 2 hydrogen bond donor(s) and 6 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 N-[1-(1H-benzimidazol-2-yl)butyl]-3,5-dinitrobenzamide?
The CAS number of N-[1-(1H-benzimidazol-2-yl)butyl]-3,5-dinitrobenzamide is 748778-95-2.
What is the molecular formula of N-[1-(1H-benzimidazol-2-yl)butyl]-3,5-dinitrobenzamide?
The molecular formula of N-[1-(1H-benzimidazol-2-yl)butyl]-3,5-dinitrobenzamide is C18H17N5O5.
What is the molecular weight of N-[1-(1H-benzimidazol-2-yl)butyl]-3,5-dinitrobenzamide?
The molecular weight of N-[1-(1H-benzimidazol-2-yl)butyl]-3,5-dinitrobenzamide is 383.12 g/mol.
Where can I buy N-[1-(1H-benzimidazol-2-yl)butyl]-3,5-dinitrobenzamide?
You can request a quote for N-[1-(1H-benzimidazol-2-yl)butyl]-3,5-dinitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[1-(1H-benzimidazol-2-yl)butyl]-3,5-dinitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[1-(1H-benzimidazol-2-yl)butyl]-3,5-dinitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.