2-(1-Methyl-1H-imidazol-5-yl)acetonitrile
TL;DR: 2-(1-Methyl-1H-imidazol-5-yl)acetonitrile (CAS 41065-01-4) is a chemical compound with molecular formula C6H7N3 and molecular weight 121.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-methylimidazol-4-yl)acetonitrile
Also Known As: 2-(1-Methyl-1H-imidazol-5-yl)acetonitrile, 2-(3-methylimidazol-4-yl)acetonitrile, (1-methyl-1H-imidazol-5-yl)acetonitrile, 1-Methyl-5-cyanomethyl-imidazol, W-8734
| Molecular Formula | C6H7N3 |
|---|---|
| Molecular Weight | 121.06 g/mol |
| LogP | 0.48618 |
| Topological Polar Surface Area | 41.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 121.063995 |
| Heavy Atoms | 9 |
| Complexity | 230.69617 |
Chemical Identifiers
| CAS Number | 41065-01-4 |
|---|---|
| SMILES | CN1C=NC=C1CC#N |
Product Overview
2-(1-Methyl-1H-imidazol-5-yl)acetonitrile (CAS 41065-01-4), with molecular formula C6H7N3 and molecular weight 121.06 g/mol. IUPAC: 2-(3-methylimidazol-4-yl)acetonitrile.
Chemical Property Profile of 2-(1-Methyl-1H-imidazol-5-yl)acetonitrile
Property Insights of 2-(1-Methyl-1H-imidazol-5-yl)acetonitrile
The XLogP value of 0.48618 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1-Methyl-1H-imidazol-5-yl)acetonitrile. With a topological polar surface area (TPSA) of 41.61 Ų, 2-(1-Methyl-1H-imidazol-5-yl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1-Methyl-1H-imidazol-5-yl)acetonitrile has 0 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 2-(1-Methyl-1H-imidazol-5-yl)acetonitrile?
The CAS number of 2-(1-Methyl-1H-imidazol-5-yl)acetonitrile is 41065-01-4.
What is the molecular formula of 2-(1-Methyl-1H-imidazol-5-yl)acetonitrile?
The molecular formula of 2-(1-Methyl-1H-imidazol-5-yl)acetonitrile is C6H7N3.
What is the molecular weight of 2-(1-Methyl-1H-imidazol-5-yl)acetonitrile?
The molecular weight of 2-(1-Methyl-1H-imidazol-5-yl)acetonitrile is 121.06 g/mol.
Where can I buy 2-(1-Methyl-1H-imidazol-5-yl)acetonitrile?
You can request a quote for 2-(1-Methyl-1H-imidazol-5-yl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-Methyl-1H-imidazol-5-yl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-Methyl-1H-imidazol-5-yl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.