1,3,5-Tris((1H-imidazol-1-yl)methyl)benzene
TL;DR: 1,3,5-Tris((1H-imidazol-1-yl)methyl)benzene (CAS 147951-02-8) is a chemical compound with molecular formula C18H18N6 and molecular weight 318.1593 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[[3,5-bis(imidazol-1-ylmethyl)phenyl]methyl]imidazole
Also Known As: 1,3,5-Tris((1H-imidazol-1-yl)methyl)benzene, 1,3,5-Tris[(1H-imidazol-1-yl)methyl]benzene, 1,3,5-tris(imidazol-1-ylmethyl)benzene, 1-[[3,5-bis(imidazol-1-ylmethyl)phenyl]methyl]imidazole, 1,3,5-Tris(1H-imidazole-1-ylmethyl)benzene
Technical Specifications
| Molecular Formula | C18H18N6 |
| Molecular Weight | 318.1593 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 53.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 318.1593 Da |
| Heavy Atoms | 24 |
| Complexity | 323.0 |
| SMILES | C1=CN(C=N1)CC2=CC(=CC(=C2)CN3C=CN=C3)CN4C=CN=C4 |
| InChIKey | FWCAOVHHIHUHLD-UHFFFAOYSA-N |
Chemical Property Profile of 1,3,5-Tris((1H-imidazol-1-yl)methyl)benzene
Property Insights of 1,3,5-Tris((1H-imidazol-1-yl)methyl)benzene
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,5-Tris((1H-imidazol-1-yl)methyl)benzene. With a topological polar surface area (TPSA) of 53.5 Ų, 1,3,5-Tris((1H-imidazol-1-yl)methyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,5-Tris((1H-imidazol-1-yl)methyl)benzene has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,3,5-Tris((1H-imidazol-1-yl)methyl)benzene?
The CAS number of 1,3,5-Tris((1H-imidazol-1-yl)methyl)benzene is 147951-02-8.
What is the molecular formula of 1,3,5-Tris((1H-imidazol-1-yl)methyl)benzene?
The molecular formula of 1,3,5-Tris((1H-imidazol-1-yl)methyl)benzene is C18H18N6.
What is the molecular weight of 1,3,5-Tris((1H-imidazol-1-yl)methyl)benzene?
The molecular weight of 1,3,5-Tris((1H-imidazol-1-yl)methyl)benzene is 318.1593 g/mol.
Where can I buy 1,3,5-Tris((1H-imidazol-1-yl)methyl)benzene?
You can request a quote for 1,3,5-Tris((1H-imidazol-1-yl)methyl)benzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3,5-Tris((1H-imidazol-1-yl)methyl)benzene?
Yes, CoreyChem provides custom synthesis services for 1,3,5-Tris((1H-imidazol-1-yl)methyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.