1-Methyl-3-((1-methyl-4-nitro-1H-imidazol-2-yl)methylene)-2-pyrrolidinone
TL;DR: 1-Methyl-3-((1-methyl-4-nitro-1H-imidazol-2-yl)methylene)-2-pyrrolidinone (CAS 123794-13-8) is a chemical compound with molecular formula C10H12N4O3 and molecular weight 236.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3Z)-1-methyl-3-[(1-methyl-4-nitroimidazol-2-yl)methylidene]pyrrolidin-2-one
Also Known As: 1-Methyl-3-((1-methyl-4-nitro-1H-imidazol-2-yl)methylene)-2-pyrrolidinone, 2-Pyrrolidinone, 1-methyl-3-((1-methyl-4-nitro-1H-imidazol-2-yl)methylene)-, (3Z)-1-methyl-3-[(1-methyl-4-nitroimidazol-2-yl)methylidene]pyrrolidin-2-one, BRN 4814183
| Molecular Formula | C10H12N4O3 |
|---|---|
| Molecular Weight | 236.09 g/mol |
| LogP | 0.5738 |
| Topological Polar Surface Area | 81.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.09094 |
| Heavy Atoms | 17 |
| Complexity | 517.6207 |
Chemical Identifiers
| CAS Number | 123794-13-8 |
|---|---|
| SMILES | CN1CC/C(=C/C2=NC(=CN2C)[N+](=O)[O-])/C1=O |
Product Overview
1-Methyl-3-((1-methyl-4-nitro-1H-imidazol-2-yl)methylene)-2-pyrrolidinone (CAS 123794-13-8), with molecular formula C10H12N4O3 and molecular weight 236.09 g/mol. IUPAC: (3Z)-1-methyl-3-[(1-methyl-4-nitroimidazol-2-yl)methylidene]pyrrolidin-2-one.
Chemical Property Profile of 1-Methyl-3-((1-methyl-4-nitro-1H-imidazol-2-yl)methylene)-2-pyrrolidinone
Property Insights of 1-Methyl-3-((1-methyl-4-nitro-1H-imidazol-2-yl)methylene)-2-pyrrolidinone
The XLogP value of 0.5738 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-3-((1-methyl-4-nitro-1H-imidazol-2-yl)methylene)-2-pyrrolidinone. The TPSA of 81.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methyl-3-((1-methyl-4-nitro-1H-imidazol-2-yl)methylene)-2-pyrrolidinone. Following Lipinski's Rule of Five, 1-Methyl-3-((1-methyl-4-nitro-1H-imidazol-2-yl)methylene)-2-pyrrolidinone has 0 hydrogen bond donor(s) and 4 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 1-Methyl-3-((1-methyl-4-nitro-1H-imidazol-2-yl)methylene)-2-pyrrolidinone?
The CAS number of 1-Methyl-3-((1-methyl-4-nitro-1H-imidazol-2-yl)methylene)-2-pyrrolidinone is 123794-13-8.
What is the molecular formula of 1-Methyl-3-((1-methyl-4-nitro-1H-imidazol-2-yl)methylene)-2-pyrrolidinone?
The molecular formula of 1-Methyl-3-((1-methyl-4-nitro-1H-imidazol-2-yl)methylene)-2-pyrrolidinone is C10H12N4O3.
What is the molecular weight of 1-Methyl-3-((1-methyl-4-nitro-1H-imidazol-2-yl)methylene)-2-pyrrolidinone?
The molecular weight of 1-Methyl-3-((1-methyl-4-nitro-1H-imidazol-2-yl)methylene)-2-pyrrolidinone is 236.09 g/mol.
Where can I buy 1-Methyl-3-((1-methyl-4-nitro-1H-imidazol-2-yl)methylene)-2-pyrrolidinone?
You can request a quote for 1-Methyl-3-((1-methyl-4-nitro-1H-imidazol-2-yl)methylene)-2-pyrrolidinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-3-((1-methyl-4-nitro-1H-imidazol-2-yl)methylene)-2-pyrrolidinone?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-3-((1-methyl-4-nitro-1H-imidazol-2-yl)methylene)-2-pyrrolidinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.