![(3E)-9-methyl-3-(4-nitrobenzylidene)-3H-imidazo[1,2-a]benzimidazol-2(9H)-one structure](/static/products/431/43181-94-8.png)
(3E)-9-methyl-3-(4-nitrobenzylidene)-3H-imidazo[1,2-a]benzimidazol-2(9H)-one
TL;DR: (3E)-9-methyl-3-(4-nitrobenzylidene)-3H-imidazo[1,2-a]benzimidazol-2(9H)-one (CAS 43181-94-8) is a chemical compound with molecular formula C17H12N4O3 and molecular weight 320.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1E)-4-methyl-1-[(4-nitrophenyl)methylidene]imidazo[1,2-a]benzimidazol-2-one
Also Known As: (1E)-4-methyl-1-[(4-nitrophenyl)methylidene]imidazo[1,2-a]benzimidazol-2-one, (3E)-9-methyl-3-(4-nitrobenzylidene)-3H-imidazo[1,2-a]benzimidazol-2(9H)-one, (E)-9-methyl-3-(4-nitrobenzylidene)-3,9-dihydro-2H-benzo[d]imidazo[1,2-a]imidazol-2-one
| Molecular Formula | C17H12N4O3 |
|---|---|
| Molecular Weight | 320.09 g/mol |
| LogP | 2.7883 |
| Topological Polar Surface Area | 79.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 320.09094 |
| Heavy Atoms | 24 |
| Complexity | 931.10675 |
Chemical Identifiers
| CAS Number | 43181-94-8 |
|---|---|
| SMILES | CN1C2=CC=CC=C2N\3C1=NC(=O)/C3=C\C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
(3E)-9-methyl-3-(4-nitrobenzylidene)-3H-imidazo[1,2-a]benzimidazol-2(9H)-one (CAS 43181-94-8), with molecular formula C17H12N4O3 and molecular weight 320.09 g/mol. IUPAC: (1E)-4-methyl-1-[(4-nitrophenyl)methylidene]imidazo[1,2-a]benzimidazol-2-one.
Chemical Property Profile of (3E)-9-methyl-3-(4-nitrobenzylidene)-3H-imidazo[1,2-a]benzimidazol-2(9H)-one
Property Insights of (3E)-9-methyl-3-(4-nitrobenzylidene)-3H-imidazo[1,2-a]benzimidazol-2(9H)-one
The XLogP value of 2.7883 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3E)-9-methyl-3-(4-nitrobenzylidene)-3H-imidazo[1,2-a]benzimidazol-2(9H)-one. The TPSA of 79.05 Ų falls within the moderate polarity range, balancing permeability and solubility for (3E)-9-methyl-3-(4-nitrobenzylidene)-3H-imidazo[1,2-a]benzimidazol-2(9H)-one. Following Lipinski's Rule of Five, (3E)-9-methyl-3-(4-nitrobenzylidene)-3H-imidazo[1,2-a]benzimidazol-2(9H)-one has 0 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 (3E)-9-methyl-3-(4-nitrobenzylidene)-3H-imidazo[1,2-a]benzimidazol-2(9H)-one?
The CAS number of (3E)-9-methyl-3-(4-nitrobenzylidene)-3H-imidazo[1,2-a]benzimidazol-2(9H)-one is 43181-94-8.
What is the molecular formula of (3E)-9-methyl-3-(4-nitrobenzylidene)-3H-imidazo[1,2-a]benzimidazol-2(9H)-one?
The molecular formula of (3E)-9-methyl-3-(4-nitrobenzylidene)-3H-imidazo[1,2-a]benzimidazol-2(9H)-one is C17H12N4O3.
What is the molecular weight of (3E)-9-methyl-3-(4-nitrobenzylidene)-3H-imidazo[1,2-a]benzimidazol-2(9H)-one?
The molecular weight of (3E)-9-methyl-3-(4-nitrobenzylidene)-3H-imidazo[1,2-a]benzimidazol-2(9H)-one is 320.09 g/mol.
Where can I buy (3E)-9-methyl-3-(4-nitrobenzylidene)-3H-imidazo[1,2-a]benzimidazol-2(9H)-one?
You can request a quote for (3E)-9-methyl-3-(4-nitrobenzylidene)-3H-imidazo[1,2-a]benzimidazol-2(9H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3E)-9-methyl-3-(4-nitrobenzylidene)-3H-imidazo[1,2-a]benzimidazol-2(9H)-one?
Yes, KEHONG BIO provides custom synthesis services for (3E)-9-methyl-3-(4-nitrobenzylidene)-3H-imidazo[1,2-a]benzimidazol-2(9H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.