TL;DR: 1H-Imidazole, 5-(2,6-dimethyl-1,5-heptadienyl)-1-(1-methylpropyl)-, (E)- (CAS 132171-29-0) is a chemical compound with molecular formula C16H26N2 and molecular weight 246.2096 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-butan-2-yl-5-[(1E)-2,6-dimethylhepta-1,5-dienyl]imidazole
Also Known As: KK 83, 1-butan-2-yl-5-[(1E)-2,6-dimethylhepta-1,5-dienyl]imidazole, 1H-Imidazole, 5-(2,6-dimethyl-1,5-heptadienyl)-1-(1-methylpropyl)-, (E)-, 1-sec-Butyl-5-[(E)-2,6-dimethyl-1,5-heptadienyl]-1H-imidazole, 1-(butan-2-yl)-5-[(1E)-2,6-dimethylhepta-1,5-dien-1-yl]-1H-imidazole
| Molecular Formula | C16H26N2 |
| Molecular Weight | 246.2096 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 17.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 246.2096 Da |
| Heavy Atoms | 18 |
| Complexity | 300.0 |
| SMILES | CCC(C)N1C=NC=C1/C=C(\C)/CCC=C(C)C |
| InChIKey | UECISOAFWFPQAW-GXDHUFHOSA-N |
The XLogP value of 4.8 indicates that 1H-Imidazole, 5-(2,6-dimethyl-1,5-heptadienyl)-1-(1-methylpropyl)-, (E)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.8 Ų, 1H-Imidazole, 5-(2,6-dimethyl-1,5-heptadienyl)-1-(1-methylpropyl)-, (E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Imidazole, 5-(2,6-dimethyl-1,5-heptadienyl)-1-(1-methylpropyl)-, (E)- has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1H-Imidazole, 5-(2,6-dimethyl-1,5-heptadienyl)-1-(1-methylpropyl)-, (E)- is 132171-29-0.
The molecular formula of 1H-Imidazole, 5-(2,6-dimethyl-1,5-heptadienyl)-1-(1-methylpropyl)-, (E)- is C16H26N2.
The molecular weight of 1H-Imidazole, 5-(2,6-dimethyl-1,5-heptadienyl)-1-(1-methylpropyl)-, (E)- is 246.2096 g/mol.
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