![2-[3-(1H-imidazol-1-yl)propoxy]benzonitrile hydrochloride structure](/static/products/210/210918-44-8.png)
2-[3-(1H-imidazol-1-yl)propoxy]benzonitrile hydrochloride
TL;DR: 2-[3-(1H-imidazol-1-yl)propoxy]benzonitrile hydrochloride (CAS 210918-44-8) is a chemical compound with molecular formula C13H13N3O and molecular weight 227.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-imidazol-1-ylpropoxy)benzonitrile
Also Known As: 2-(3-imidazol-1-ylpropoxy)benzonitrile, 2-(3-(1H-imidazol-1-yl)propoxy)benzonitrile, 2-[3-(1H-imidazol-1-yl)propoxy]benzonitrile hydrochloride
| Molecular Formula | C13H13N3O |
|---|---|
| Molecular Weight | 227.11 g/mol |
| LogP | 2.22388 |
| Topological Polar Surface Area | 50.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 227.10587 |
| Heavy Atoms | 17 |
| Complexity | 499.63318 |
Chemical Identifiers
| CAS Number | 210918-44-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C#N)OCCCN2C=CN=C2 |
Product Overview
2-[3-(1H-imidazol-1-yl)propoxy]benzonitrile hydrochloride (CAS 210918-44-8), with molecular formula C13H13N3O and molecular weight 227.11 g/mol. IUPAC: 2-(3-imidazol-1-ylpropoxy)benzonitrile.
Chemical Property Profile of 2-[3-(1H-imidazol-1-yl)propoxy]benzonitrile hydrochloride
Property Insights of 2-[3-(1H-imidazol-1-yl)propoxy]benzonitrile hydrochloride
The XLogP value of 2.22388 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[3-(1H-imidazol-1-yl)propoxy]benzonitrile hydrochloride. With a topological polar surface area (TPSA) of 50.84 Ų, 2-[3-(1H-imidazol-1-yl)propoxy]benzonitrile hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[3-(1H-imidazol-1-yl)propoxy]benzonitrile hydrochloride 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 2-[3-(1H-imidazol-1-yl)propoxy]benzonitrile hydrochloride?
The CAS number of 2-[3-(1H-imidazol-1-yl)propoxy]benzonitrile hydrochloride is 210918-44-8.
What is the molecular formula of 2-[3-(1H-imidazol-1-yl)propoxy]benzonitrile hydrochloride?
The molecular formula of 2-[3-(1H-imidazol-1-yl)propoxy]benzonitrile hydrochloride is C13H13N3O.
What is the molecular weight of 2-[3-(1H-imidazol-1-yl)propoxy]benzonitrile hydrochloride?
The molecular weight of 2-[3-(1H-imidazol-1-yl)propoxy]benzonitrile hydrochloride is 227.11 g/mol.
Where can I buy 2-[3-(1H-imidazol-1-yl)propoxy]benzonitrile hydrochloride?
You can request a quote for 2-[3-(1H-imidazol-1-yl)propoxy]benzonitrile hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[3-(1H-imidazol-1-yl)propoxy]benzonitrile hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2-[3-(1H-imidazol-1-yl)propoxy]benzonitrile hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.