![4-Methylimidazole-5-[1,1-dimethylethylcyanide] structure](/static/products/959/959233-86-4.png)
4-Methylimidazole-5-[1,1-dimethylethylcyanide]
TL;DR: 4-Methylimidazole-5-[1,1-dimethylethylcyanide] (CAS 959233-86-4) is a chemical compound with molecular formula C9H13N3 and molecular weight 163.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-3-(5-methyl-1H-imidazol-4-yl)butanenitrile
Also Known As: 4-Methylimidazole-5-[1,1-dimethylethylcyanide], 3-methyl-3-(5-methyl-1H-imidazol-4-yl)butanenitrile, 3-Methyl-3-(4-methyl-1H-imidazol-5-yl)butanenitrile #, 1H-Imidazole-5-propanenitrile, -b?ta-,-b?ta-,4-trimethyl-
| Molecular Formula | C9H13N3 |
|---|---|
| Molecular Weight | 163.11 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 52.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 163.11095 |
| Heavy Atoms | 12 |
| Complexity | 201.0 |
Chemical Identifiers
| CAS Number | 959233-86-4 |
|---|---|
| SMILES | CC1=C(N=CN1)C(C)(C)CC#N |
| InChIKey | PLQZRLQLTIMWPY-UHFFFAOYSA-N |
Product Overview
4-Methylimidazole-5-[1,1-dimethylethylcyanide] (CAS 959233-86-4), with molecular formula C9H13N3 and molecular weight 163.11 g/mol. IUPAC: 3-methyl-3-(5-methyl-1H-imidazol-4-yl)butanenitrile.
Chemical Property Profile of 4-Methylimidazole-5-[1,1-dimethylethylcyanide]
Property Insights of 4-Methylimidazole-5-[1,1-dimethylethylcyanide]
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methylimidazole-5-[1,1-dimethylethylcyanide]. With a topological polar surface area (TPSA) of 52.5 Ų, 4-Methylimidazole-5-[1,1-dimethylethylcyanide] exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methylimidazole-5-[1,1-dimethylethylcyanide] has 1 hydrogen bond donor(s) and 2 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-Methylimidazole-5-[1,1-dimethylethylcyanide]?
The CAS number of 4-Methylimidazole-5-[1,1-dimethylethylcyanide] is 959233-86-4.
What is the molecular formula of 4-Methylimidazole-5-[1,1-dimethylethylcyanide]?
The molecular formula of 4-Methylimidazole-5-[1,1-dimethylethylcyanide] is C9H13N3.
What is the molecular weight of 4-Methylimidazole-5-[1,1-dimethylethylcyanide]?
The molecular weight of 4-Methylimidazole-5-[1,1-dimethylethylcyanide] is 163.11 g/mol.
Where can I buy 4-Methylimidazole-5-[1,1-dimethylethylcyanide]?
You can request a quote for 4-Methylimidazole-5-[1,1-dimethylethylcyanide] directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methylimidazole-5-[1,1-dimethylethylcyanide]?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylimidazole-5-[1,1-dimethylethylcyanide] and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.