1-(1H-Imidazol-1-yl)ethanone
TL;DR: 1-(1H-Imidazol-1-yl)ethanone (CAS 2466-76-4) is a chemical compound with molecular formula C5H6N2O and molecular weight 110.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-imidazol-1-ylethanone
Also Known As: 1-Acetylimidazole, N-Acetylimidazole, Acetylimidazole, 1-(1H-imidazol-1-yl)ethanone, 1H-Imidazole, 1-acetyl-
| Molecular Formula | C5H6N2O |
|---|---|
| Molecular Weight | 110.05 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 34.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 110.04801 |
| Heavy Atoms | 8 |
| Complexity | 103.0 |
Chemical Identifiers
| CAS Number | 2466-76-4 |
|---|---|
| SMILES | CC(=O)N1C=CN=C1 |
| InChIKey | VIHYIVKEECZGOU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(1H-Imidazol-1-yl)ethanone (CAS 2466-76-4), with molecular formula C5H6N2O and molecular weight 110.05 g/mol. IUPAC: 1-imidazol-1-ylethanone.
Chemical Property Profile of 1-(1H-Imidazol-1-yl)ethanone
Property Insights of 1-(1H-Imidazol-1-yl)ethanone
The XLogP value of -0.3 indicates that 1-(1H-Imidazol-1-yl)ethanone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 34.9 Ų, 1-(1H-Imidazol-1-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1H-Imidazol-1-yl)ethanone 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 1-(1H-Imidazol-1-yl)ethanone?
The CAS number of 1-(1H-Imidazol-1-yl)ethanone is 2466-76-4.
What is the molecular formula of 1-(1H-Imidazol-1-yl)ethanone?
The molecular formula of 1-(1H-Imidazol-1-yl)ethanone is C5H6N2O.
What is the molecular weight of 1-(1H-Imidazol-1-yl)ethanone?
The molecular weight of 1-(1H-Imidazol-1-yl)ethanone is 110.05 g/mol.
Where can I buy 1-(1H-Imidazol-1-yl)ethanone?
You can request a quote for 1-(1H-Imidazol-1-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1H-Imidazol-1-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(1H-Imidazol-1-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.