2-((4,5-Dihydro-1H-imidazol-2-yl)thio)-N-phenylacetamide
TL;DR: 2-((4,5-Dihydro-1H-imidazol-2-yl)thio)-N-phenylacetamide (CAS 63236-62-4) is a chemical compound with molecular formula C11H13N3OS and molecular weight 235.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-phenylacetamide
Also Known As: NCIStruc1_000578, NCIStruc2_000486, 2-((4,5-Dihydro-1H-imidazol-2-yl)thio)-N-phenylacetamide, NCI60_002960, 2-(2-imidazolin-2-ylthio)-N-phenylacetamide
| Molecular Formula | C11H13N3OS |
|---|---|
| Molecular Weight | 235.08 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 78.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 235.07793 |
| Heavy Atoms | 16 |
| Complexity | 274.0 |
Chemical Identifiers
| CAS Number | 63236-62-4 |
|---|---|
| SMILES | C1CN=C(N1)SCC(=O)NC2=CC=CC=C2 |
| InChIKey | WXLPLNAWWILGFY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-((4,5-Dihydro-1H-imidazol-2-yl)thio)-N-phenylacetamide (CAS 63236-62-4), with molecular formula C11H13N3OS and molecular weight 235.08 g/mol. IUPAC: 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-phenylacetamide.
Chemical Property Profile of 2-((4,5-Dihydro-1H-imidazol-2-yl)thio)-N-phenylacetamide
Property Insights of 2-((4,5-Dihydro-1H-imidazol-2-yl)thio)-N-phenylacetamide
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((4,5-Dihydro-1H-imidazol-2-yl)thio)-N-phenylacetamide. The TPSA of 78.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4,5-Dihydro-1H-imidazol-2-yl)thio)-N-phenylacetamide. Following Lipinski's Rule of Five, 2-((4,5-Dihydro-1H-imidazol-2-yl)thio)-N-phenylacetamide 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 2-((4,5-Dihydro-1H-imidazol-2-yl)thio)-N-phenylacetamide?
The CAS number of 2-((4,5-Dihydro-1H-imidazol-2-yl)thio)-N-phenylacetamide is 63236-62-4.
What is the molecular formula of 2-((4,5-Dihydro-1H-imidazol-2-yl)thio)-N-phenylacetamide?
The molecular formula of 2-((4,5-Dihydro-1H-imidazol-2-yl)thio)-N-phenylacetamide is C11H13N3OS.
What is the molecular weight of 2-((4,5-Dihydro-1H-imidazol-2-yl)thio)-N-phenylacetamide?
The molecular weight of 2-((4,5-Dihydro-1H-imidazol-2-yl)thio)-N-phenylacetamide is 235.08 g/mol.
Where can I buy 2-((4,5-Dihydro-1H-imidazol-2-yl)thio)-N-phenylacetamide?
You can request a quote for 2-((4,5-Dihydro-1H-imidazol-2-yl)thio)-N-phenylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4,5-Dihydro-1H-imidazol-2-yl)thio)-N-phenylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((4,5-Dihydro-1H-imidazol-2-yl)thio)-N-phenylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.