TL;DR: Phenol, 2-(1-(2,2-dimethylpropyl)-1H-imidazol-5-yl)- (CAS 129760-02-7) is a chemical compound with molecular formula C14H18N2O and molecular weight 230.1419 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[3-(2,2-dimethylpropyl)imidazol-4-yl]phenol
Also Known As: 1,4-Benzenedicarboxaldehyde,2,5-dihexyl, 2-[3-(2,2-dimethylpropyl)imidazol-4-yl]phenol, Phenol, 2-(1-(2,2-dimethylpropyl)-1H-imidazol-5-yl)-, 2-[1-(2,2-Dimethylpropyl)-1H-imidazol-5-yl]phenol
| Molecular Formula | C14H18N2O |
| Molecular Weight | 230.1419 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 38.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 230.1419 Da |
| Heavy Atoms | 17 |
| Complexity | 249.0 |
| SMILES | CC(C)(C)CN1C=NC=C1C2=CC=CC=C2O |
| InChIKey | SIWBVZDPQFVLAN-UHFFFAOYSA-N |
The XLogP value of 3.0 indicates that Phenol, 2-(1-(2,2-dimethylpropyl)-1H-imidazol-5-yl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.1 Ų, Phenol, 2-(1-(2,2-dimethylpropyl)-1H-imidazol-5-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenol, 2-(1-(2,2-dimethylpropyl)-1H-imidazol-5-yl)- has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Phenol, 2-(1-(2,2-dimethylpropyl)-1H-imidazol-5-yl)- is 129760-02-7.
The molecular formula of Phenol, 2-(1-(2,2-dimethylpropyl)-1H-imidazol-5-yl)- is C14H18N2O.
The molecular weight of Phenol, 2-(1-(2,2-dimethylpropyl)-1H-imidazol-5-yl)- is 230.1419 g/mol.
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