![(E)-3-((5-nitrothiophen-2-yl)methylene)-9-(2-(piperidin-1-yl)ethyl)-3,9-dihydro-2H-benzo[d]imidazo[1,2-a]imidazol-2-one structure](/static/products/326/326871-85-6.png)
(E)-3-((5-nitrothiophen-2-yl)methylene)-9-(2-(piperidin-1-yl)ethyl)-3,9-dihydro-2H-benzo[d]imidazo[1,2-a]imidazol-2-one
TL;DR: (E)-3-((5-nitrothiophen-2-yl)methylene)-9-(2-(piperidin-1-yl)ethyl)-3,9-dihydro-2H-benzo[d]imidazo[1,2-a]imidazol-2-one (CAS 326871-85-6) is a chemical compound with molecular formula C21H21N5O3S and molecular weight 423.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1E)-1-[(5-nitrothiophen-2-yl)methylidene]-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazol-2-one
Also Known As: (E)-3-((5-nitrothiophen-2-yl)methylene)-9-(2-(piperidin-1-yl)ethyl)-3,9-dihydro-2H-benzo[d]imidazo[1,2-a]imidazol-2-one, (1E)-1-[(5-nitrothiophen-2-yl)methylidene]-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazol-2-one, (3E)-3-[(5-nitrothiophen-2-yl)methylidene]-9-[2-(piperidin-1-yl)ethyl]-3H-imidazo[1,2-a]benzimidazol-2(9H)-one
| Molecular Formula | C21H21N5O3S |
|---|---|
| Molecular Weight | 423.14 g/mol |
| LogP | 3.7059 |
| Topological Polar Surface Area | 82.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 423.1365 |
| Heavy Atoms | 30 |
| Complexity | 1070.0991 |
Chemical Identifiers
| CAS Number | 326871-85-6 |
|---|---|
| SMILES | C1CCN(CC1)CCN2C3=CC=CC=C3N\4C2=NC(=O)/C4=C\C5=CC=C(S5)[N+](=O)[O-] |
Product Overview
(E)-3-((5-nitrothiophen-2-yl)methylene)-9-(2-(piperidin-1-yl)ethyl)-3,9-dihydro-2H-benzo[d]imidazo[1,2-a]imidazol-2-one (CAS 326871-85-6), with molecular formula C21H21N5O3S and molecular weight 423.14 g/mol. IUPAC: (1E)-1-[(5-nitrothiophen-2-yl)methylidene]-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazol-2-one.
Chemical Property Profile of (E)-3-((5-nitrothiophen-2-yl)methylene)-9-(2-(piperidin-1-yl)ethyl)-3,9-dihydro-2H-benzo[d]imidazo[1,2-a]imidazol-2-one
Property Insights of (E)-3-((5-nitrothiophen-2-yl)methylene)-9-(2-(piperidin-1-yl)ethyl)-3,9-dihydro-2H-benzo[d]imidazo[1,2-a]imidazol-2-one
The XLogP value of 3.7059 indicates that (E)-3-((5-nitrothiophen-2-yl)methylene)-9-(2-(piperidin-1-yl)ethyl)-3,9-dihydro-2H-benzo[d]imidazo[1,2-a]imidazol-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.29 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-((5-nitrothiophen-2-yl)methylene)-9-(2-(piperidin-1-yl)ethyl)-3,9-dihydro-2H-benzo[d]imidazo[1,2-a]imidazol-2-one. Following Lipinski's Rule of Five, (E)-3-((5-nitrothiophen-2-yl)methylene)-9-(2-(piperidin-1-yl)ethyl)-3,9-dihydro-2H-benzo[d]imidazo[1,2-a]imidazol-2-one has 0 hydrogen bond donor(s) and 7 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 (E)-3-((5-nitrothiophen-2-yl)methylene)-9-(2-(piperidin-1-yl)ethyl)-3,9-dihydro-2H-benzo[d]imidazo[1,2-a]imidazol-2-one?
The CAS number of (E)-3-((5-nitrothiophen-2-yl)methylene)-9-(2-(piperidin-1-yl)ethyl)-3,9-dihydro-2H-benzo[d]imidazo[1,2-a]imidazol-2-one is 326871-85-6.
What is the molecular formula of (E)-3-((5-nitrothiophen-2-yl)methylene)-9-(2-(piperidin-1-yl)ethyl)-3,9-dihydro-2H-benzo[d]imidazo[1,2-a]imidazol-2-one?
The molecular formula of (E)-3-((5-nitrothiophen-2-yl)methylene)-9-(2-(piperidin-1-yl)ethyl)-3,9-dihydro-2H-benzo[d]imidazo[1,2-a]imidazol-2-one is C21H21N5O3S.
What is the molecular weight of (E)-3-((5-nitrothiophen-2-yl)methylene)-9-(2-(piperidin-1-yl)ethyl)-3,9-dihydro-2H-benzo[d]imidazo[1,2-a]imidazol-2-one?
The molecular weight of (E)-3-((5-nitrothiophen-2-yl)methylene)-9-(2-(piperidin-1-yl)ethyl)-3,9-dihydro-2H-benzo[d]imidazo[1,2-a]imidazol-2-one is 423.14 g/mol.
Where can I buy (E)-3-((5-nitrothiophen-2-yl)methylene)-9-(2-(piperidin-1-yl)ethyl)-3,9-dihydro-2H-benzo[d]imidazo[1,2-a]imidazol-2-one?
You can request a quote for (E)-3-((5-nitrothiophen-2-yl)methylene)-9-(2-(piperidin-1-yl)ethyl)-3,9-dihydro-2H-benzo[d]imidazo[1,2-a]imidazol-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-((5-nitrothiophen-2-yl)methylene)-9-(2-(piperidin-1-yl)ethyl)-3,9-dihydro-2H-benzo[d]imidazo[1,2-a]imidazol-2-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-((5-nitrothiophen-2-yl)methylene)-9-(2-(piperidin-1-yl)ethyl)-3,9-dihydro-2H-benzo[d]imidazo[1,2-a]imidazol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.