1-Benzyl-2-propan-2-ylimidazole
TL;DR: 1-Benzyl-2-propan-2-ylimidazole (CAS 18994-85-9) is a chemical compound with molecular formula C13H16N2 and molecular weight 200.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-2-propan-2-ylimidazole
Also Known As: 1-benzyl-2-propan-2-ylimidazole, 1-Benzyl-2-(propan-2-yl)-1H-imidazole
| Molecular Formula | C13H16N2 |
|---|---|
| Molecular Weight | 200.13 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 17.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 200.13135 |
| Heavy Atoms | 15 |
| Complexity | 185.0 |
Chemical Identifiers
| CAS Number | 18994-85-9 |
|---|---|
| SMILES | CC(C)C1=NC=CN1CC2=CC=CC=C2 |
| InChIKey | VQDKUWYOXTUWGQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Benzyl-2-propan-2-ylimidazole (CAS 18994-85-9), with molecular formula C13H16N2 and molecular weight 200.13 g/mol. IUPAC: 1-benzyl-2-propan-2-ylimidazole.
Chemical Property Profile of 1-Benzyl-2-propan-2-ylimidazole
Property Insights of 1-Benzyl-2-propan-2-ylimidazole
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzyl-2-propan-2-ylimidazole. With a topological polar surface area (TPSA) of 17.8 Ų, 1-Benzyl-2-propan-2-ylimidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-2-propan-2-ylimidazole has 0 hydrogen bond donor(s) and 1 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-Benzyl-2-propan-2-ylimidazole?
The CAS number of 1-Benzyl-2-propan-2-ylimidazole is 18994-85-9.
What is the molecular formula of 1-Benzyl-2-propan-2-ylimidazole?
The molecular formula of 1-Benzyl-2-propan-2-ylimidazole is C13H16N2.
What is the molecular weight of 1-Benzyl-2-propan-2-ylimidazole?
The molecular weight of 1-Benzyl-2-propan-2-ylimidazole is 200.13 g/mol.
Where can I buy 1-Benzyl-2-propan-2-ylimidazole?
You can request a quote for 1-Benzyl-2-propan-2-ylimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzyl-2-propan-2-ylimidazole?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-2-propan-2-ylimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.