5-(3-Chlorophenyl)-1-(2,2-dimethylpropyl)imidazole
TL;DR: 5-(3-Chlorophenyl)-1-(2,2-dimethylpropyl)imidazole (CAS 13452-67-0) is a chemical compound with molecular formula C14H17ClN2 and molecular weight 248.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3-chlorophenyl)-1-(2,2-dimethylpropyl)imidazole
Also Known As: 1-isobutyl-5-phenylimidazole, 5-(3-chlorophenyl)-1-(2,2-dimethylpropyl)imidazole, 1-Neopentyl-5-(3-chlorophenyl)imidazole, 5-(3-chlorophenyl)-1-(2,2-dimethylpropyl)-1h-imidazole, 1H-Imidazole,5-(3-chlorophenyl)-1-(2,2-dimethylpropyl)-
| Molecular Formula | C14H17ClN2 |
|---|---|
| Molecular Weight | 248.11 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 17.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.10803 |
| Heavy Atoms | 17 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 13452-67-0 |
|---|---|
| SMILES | CC(C)(C)CN1C=NC=C1C2=CC(=CC=C2)Cl |
| InChIKey | AVHBXBZOIZPXIN-UHFFFAOYSA-N |
Product Overview
5-(3-Chlorophenyl)-1-(2,2-dimethylpropyl)imidazole (CAS 13452-67-0), with molecular formula C14H17ClN2 and molecular weight 248.11 g/mol. IUPAC: 5-(3-chlorophenyl)-1-(2,2-dimethylpropyl)imidazole.
Chemical Property Profile of 5-(3-Chlorophenyl)-1-(2,2-dimethylpropyl)imidazole
Property Insights of 5-(3-Chlorophenyl)-1-(2,2-dimethylpropyl)imidazole
The XLogP value of 4.0 indicates that 5-(3-Chlorophenyl)-1-(2,2-dimethylpropyl)imidazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.8 Ų, 5-(3-Chlorophenyl)-1-(2,2-dimethylpropyl)imidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(3-Chlorophenyl)-1-(2,2-dimethylpropyl)imidazole 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 5-(3-Chlorophenyl)-1-(2,2-dimethylpropyl)imidazole?
The CAS number of 5-(3-Chlorophenyl)-1-(2,2-dimethylpropyl)imidazole is 13452-67-0.
What is the molecular formula of 5-(3-Chlorophenyl)-1-(2,2-dimethylpropyl)imidazole?
The molecular formula of 5-(3-Chlorophenyl)-1-(2,2-dimethylpropyl)imidazole is C14H17ClN2.
What is the molecular weight of 5-(3-Chlorophenyl)-1-(2,2-dimethylpropyl)imidazole?
The molecular weight of 5-(3-Chlorophenyl)-1-(2,2-dimethylpropyl)imidazole is 248.11 g/mol.
Where can I buy 5-(3-Chlorophenyl)-1-(2,2-dimethylpropyl)imidazole?
You can request a quote for 5-(3-Chlorophenyl)-1-(2,2-dimethylpropyl)imidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3-Chlorophenyl)-1-(2,2-dimethylpropyl)imidazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-Chlorophenyl)-1-(2,2-dimethylpropyl)imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.