![1-[4-(tert-butyl)benzyl]-1H-imidazole-4,5-dicarbonitrile structure](/static/products/4391/439108-70-0.webp)
1-[4-(tert-butyl)benzyl]-1H-imidazole-4,5-dicarbonitrile
TL;DR: 1-[4-(tert-butyl)benzyl]-1H-imidazole-4,5-dicarbonitrile (CAS 439108-70-0) is a chemical compound with molecular formula C16H16N4 and molecular weight 264.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-tert-butylphenyl)methyl]imidazole-4,5-dicarbonitrile
Also Known As: Bionet2_001200, 1-[4-(tert-butyl)benzyl]-1H-imidazole-4,5-dicarbonitrile, 1-[(4-tert-butylphenyl)methyl]-1H-imidazole-4,5-dicarbonitrile, 1-[(4-tert-butylphenyl)methyl]imidazole-4,5-dicarbonitrile, 4T-0309
| Molecular Formula | C16H16N4 |
|---|---|
| Molecular Weight | 264.14 g/mol |
| LogP | 2.97226 |
| Topological Polar Surface Area | 65.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 264.13748 |
| Heavy Atoms | 20 |
| Complexity | 688.0488 |
Chemical Identifiers
| CAS Number | 439108-70-0 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)CN2C=NC(=C2C#N)C#N |
Product Overview
1-[4-(tert-butyl)benzyl]-1H-imidazole-4,5-dicarbonitrile (CAS 439108-70-0), with molecular formula C16H16N4 and molecular weight 264.14 g/mol. IUPAC: 1-[(4-tert-butylphenyl)methyl]imidazole-4,5-dicarbonitrile.
Chemical Property Profile of 1-[4-(tert-butyl)benzyl]-1H-imidazole-4,5-dicarbonitrile
Property Insights of 1-[4-(tert-butyl)benzyl]-1H-imidazole-4,5-dicarbonitrile
The XLogP value of 2.97226 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[4-(tert-butyl)benzyl]-1H-imidazole-4,5-dicarbonitrile. The TPSA of 65.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[4-(tert-butyl)benzyl]-1H-imidazole-4,5-dicarbonitrile. Following Lipinski's Rule of Five, 1-[4-(tert-butyl)benzyl]-1H-imidazole-4,5-dicarbonitrile has 0 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 1-[4-(tert-butyl)benzyl]-1H-imidazole-4,5-dicarbonitrile?
The CAS number of 1-[4-(tert-butyl)benzyl]-1H-imidazole-4,5-dicarbonitrile is 439108-70-0.
What is the molecular formula of 1-[4-(tert-butyl)benzyl]-1H-imidazole-4,5-dicarbonitrile?
The molecular formula of 1-[4-(tert-butyl)benzyl]-1H-imidazole-4,5-dicarbonitrile is C16H16N4.
What is the molecular weight of 1-[4-(tert-butyl)benzyl]-1H-imidazole-4,5-dicarbonitrile?
The molecular weight of 1-[4-(tert-butyl)benzyl]-1H-imidazole-4,5-dicarbonitrile is 264.14 g/mol.
Where can I buy 1-[4-(tert-butyl)benzyl]-1H-imidazole-4,5-dicarbonitrile?
You can request a quote for 1-[4-(tert-butyl)benzyl]-1H-imidazole-4,5-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[4-(tert-butyl)benzyl]-1H-imidazole-4,5-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-(tert-butyl)benzyl]-1H-imidazole-4,5-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.