![1-[4-(propan-2-yl)benzyl]-1H-imidazole structure](/static/products/111/111371-14-3.webp)
1-[4-(propan-2-yl)benzyl]-1H-imidazole
TL;DR: 1-[4-(propan-2-yl)benzyl]-1H-imidazole (CAS 111371-14-3) is a chemical compound with molecular formula C13H16N2 and molecular weight 200.13135 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(4-propan-2-ylphenyl)methyl]imidazole
Also Known As: 1-(4-isopropylbenzyl)-1H-imidazole, {[4-(methylethyl)phenyl]methyl}imidazole, 1-[(4-propan-2-ylphenyl)methyl]imidazole, 1-[4-(propan-2-yl)benzyl]-1H-imidazole, 1H-Imidazole, 1-[[4-(1-methylethyl)phenyl]methyl]-
Technical Specifications
| Molecular Formula | C13H16N2 |
| Molecular Weight | 200.13135 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 17.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 200.13135 Da |
| Heavy Atoms | 15 |
| Complexity | 183.0 |
| SMILES | CC(C)C1=CC=C(C=C1)CN2C=CN=C2 |
| InChIKey | LNMBNXOXZNCCHM-UHFFFAOYSA-N |
Chemical Property Profile of 1-[4-(propan-2-yl)benzyl]-1H-imidazole
Property Insights of 1-[4-(propan-2-yl)benzyl]-1H-imidazole
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[4-(propan-2-yl)benzyl]-1H-imidazole. With a topological polar surface area (TPSA) of 17.8 Ų, 1-[4-(propan-2-yl)benzyl]-1H-imidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[4-(propan-2-yl)benzyl]-1H-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
What is the CAS number of 1-[4-(propan-2-yl)benzyl]-1H-imidazole?
The CAS number of 1-[4-(propan-2-yl)benzyl]-1H-imidazole is 111371-14-3.
What is the molecular formula of 1-[4-(propan-2-yl)benzyl]-1H-imidazole?
The molecular formula of 1-[4-(propan-2-yl)benzyl]-1H-imidazole is C13H16N2.
What is the molecular weight of 1-[4-(propan-2-yl)benzyl]-1H-imidazole?
The molecular weight of 1-[4-(propan-2-yl)benzyl]-1H-imidazole is 200.13135 g/mol.
Where can I buy 1-[4-(propan-2-yl)benzyl]-1H-imidazole?
You can request a quote for 1-[4-(propan-2-yl)benzyl]-1H-imidazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-[4-(propan-2-yl)benzyl]-1H-imidazole?
Yes, CoreyChem provides custom synthesis services for 1-[4-(propan-2-yl)benzyl]-1H-imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.