4-(4-Methyl-2,5-dioxoimidazolidin-4-yl)benzonitrile
TL;DR: 4-(4-Methyl-2,5-dioxoimidazolidin-4-yl)benzonitrile (CAS 169808-00-8) is a chemical compound with molecular formula C11H9N3O2 and molecular weight 215.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzonitrile
Also Known As: 4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzonitrile, Benzonitrile, 4-(4-methyl-2,5-dioxo-4-imidazolidinyl)-, 2,4-Imidazolidinedione, 5-methyl-3-(4-cyanophenyl)-, 4-(4-Methyl-2,5-dioxo-4-imidazolidinyl)benzonitrile, 4-(4-Cyanophenyl)-4-methyl-2,5-dioxoimidazolidine
| Molecular Formula | C11H9N3O2 |
|---|---|
| Molecular Weight | 215.07 g/mol |
| LogP | 0.61288 |
| Topological Polar Surface Area | 81.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 215.06947 |
| Heavy Atoms | 16 |
| Complexity | 500.95612 |
Chemical Identifiers
| CAS Number | 169808-00-8 |
|---|---|
| SMILES | CC1(C(=O)NC(=O)N1)C2=CC=C(C=C2)C#N |
Product Overview
4-(4-Methyl-2,5-dioxoimidazolidin-4-yl)benzonitrile (CAS 169808-00-8), with molecular formula C11H9N3O2 and molecular weight 215.07 g/mol. IUPAC: 4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzonitrile.
Chemical Property Profile of 4-(4-Methyl-2,5-dioxoimidazolidin-4-yl)benzonitrile
Property Insights of 4-(4-Methyl-2,5-dioxoimidazolidin-4-yl)benzonitrile
The XLogP value of 0.61288 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Methyl-2,5-dioxoimidazolidin-4-yl)benzonitrile. The TPSA of 81.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Methyl-2,5-dioxoimidazolidin-4-yl)benzonitrile. Following Lipinski's Rule of Five, 4-(4-Methyl-2,5-dioxoimidazolidin-4-yl)benzonitrile has 2 hydrogen bond donor(s) and 3 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 4-(4-Methyl-2,5-dioxoimidazolidin-4-yl)benzonitrile?
The CAS number of 4-(4-Methyl-2,5-dioxoimidazolidin-4-yl)benzonitrile is 169808-00-8.
What is the molecular formula of 4-(4-Methyl-2,5-dioxoimidazolidin-4-yl)benzonitrile?
The molecular formula of 4-(4-Methyl-2,5-dioxoimidazolidin-4-yl)benzonitrile is C11H9N3O2.
What is the molecular weight of 4-(4-Methyl-2,5-dioxoimidazolidin-4-yl)benzonitrile?
The molecular weight of 4-(4-Methyl-2,5-dioxoimidazolidin-4-yl)benzonitrile is 215.07 g/mol.
Where can I buy 4-(4-Methyl-2,5-dioxoimidazolidin-4-yl)benzonitrile?
You can request a quote for 4-(4-Methyl-2,5-dioxoimidazolidin-4-yl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Methyl-2,5-dioxoimidazolidin-4-yl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Methyl-2,5-dioxoimidazolidin-4-yl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.