Imidazolidin-2-ylideneacetonitrile
TL;DR: Imidazolidin-2-ylideneacetonitrile (CAS 68675-90-1) is a chemical compound with molecular formula C5H7N3 and molecular weight 109.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-imidazolidin-2-ylideneacetonitrile
Also Known As: 2-(imidazolidin-2-ylidene)acetonitrile, imidazolidin-2-ylideneacetonitrile, 2-imidazolidin-2-ylideneacetonitrile, acetonitrile, 2-imidazolidinylidene-, (Imidazolidine-2-ylidene)acetonitrile
| Molecular Formula | C5H7N3 |
|---|---|
| Molecular Weight | 109.06 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 47.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 109.063995 |
| Heavy Atoms | 8 |
| Complexity | 142.0 |
Chemical Identifiers
| CAS Number | 68675-90-1 |
|---|---|
| SMILES | C1CNC(=CC#N)N1 |
| InChIKey | WAFRBZOLXQGXPQ-UHFFFAOYSA-N |
Product Overview
Imidazolidin-2-ylideneacetonitrile (CAS 68675-90-1), with molecular formula C5H7N3 and molecular weight 109.06 g/mol. IUPAC: 2-imidazolidin-2-ylideneacetonitrile.
Chemical Property Profile of Imidazolidin-2-ylideneacetonitrile
Property Insights of Imidazolidin-2-ylideneacetonitrile
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Imidazolidin-2-ylideneacetonitrile. With a topological polar surface area (TPSA) of 47.9 Ų, Imidazolidin-2-ylideneacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Imidazolidin-2-ylideneacetonitrile 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 Imidazolidin-2-ylideneacetonitrile?
The CAS number of Imidazolidin-2-ylideneacetonitrile is 68675-90-1.
What is the molecular formula of Imidazolidin-2-ylideneacetonitrile?
The molecular formula of Imidazolidin-2-ylideneacetonitrile is C5H7N3.
What is the molecular weight of Imidazolidin-2-ylideneacetonitrile?
The molecular weight of Imidazolidin-2-ylideneacetonitrile is 109.06 g/mol.
Where can I buy Imidazolidin-2-ylideneacetonitrile?
You can request a quote for Imidazolidin-2-ylideneacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Imidazolidin-2-ylideneacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for Imidazolidin-2-ylideneacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.