TL;DR: Pyridine, 3-(2-(1H-imidazol-4-yl)-1-phenylethyl)- (CAS 122027-54-7) is a chemical compound with molecular formula C16H15N3 and molecular weight 249.1266 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[2-(1H-imidazol-5-yl)-1-phenylethyl]pyridine
Also Known As: 3-[2-(1H-imidazol-5-yl)-1-phenylethyl]pyridine, Pyridine, 3-(2-(1H-imidazol-4-yl)-1-phenylethyl)-, 3-(2-(1H-Imidazol-4-yl)-1-phenylethyl)pyridine, (-)-cis-2-(4'-methylphenyl)3-acetyloxy-5-[2-(dimethylamino)ethyl]-8-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one, BRN 4188482
| Molecular Formula | C16H15N3 |
| Molecular Weight | 249.1266 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 249.1266 Da |
| Heavy Atoms | 19 |
| Complexity | 263.0 |
| SMILES | C1=CC=C(C=C1)C(CC2=CN=CN2)C3=CN=CC=C3 |
| InChIKey | FNTVGFWNSZPDQN-UHFFFAOYSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyridine, 3-(2-(1H-imidazol-4-yl)-1-phenylethyl)-. With a topological polar surface area (TPSA) of 41.6 Ų, Pyridine, 3-(2-(1H-imidazol-4-yl)-1-phenylethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyridine, 3-(2-(1H-imidazol-4-yl)-1-phenylethyl)- 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 Pyridine, 3-(2-(1H-imidazol-4-yl)-1-phenylethyl)- is 122027-54-7.
The molecular formula of Pyridine, 3-(2-(1H-imidazol-4-yl)-1-phenylethyl)- is C16H15N3.
The molecular weight of Pyridine, 3-(2-(1H-imidazol-4-yl)-1-phenylethyl)- is 249.1266 g/mol.
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