TL;DR: 1H-1-Benzazepin-2-one, 2,3,4,5-tetrahydro-1-(2-imidazolin-2-yl)methyl- (CAS 54951-26-7) is a chemical compound with molecular formula C14H17N3O and molecular weight 243.13716 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4,5-dihydro-3H-1-benzazepin-2-one
Also Known As: 5-25-09-00369 (Beilstein Handbook Reference), 1H-1-BENZAZEPIN-2-ONE, 2,3,4,5-TETRAHYDRO-1-(2-IMIDAZOLIN-2-YL)METHYL-, 1H-1-Benzazepin-2-one, 1-(2-imidazolin-2-yl)methyl-2,3,4,5-tetrahydro-, Decanedioic acid,compd. with 4,4'-bipyridine (1:1), 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4,5-dihydro-3H-1-benzazepin-2-one
| Molecular Formula | C14H17N3O |
| Molecular Weight | 243.13716 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 44.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 243.13716 Da |
| Heavy Atoms | 18 |
| Complexity | 353.0 |
| SMILES | C1CC2=CC=CC=C2N(C(=O)C1)CC3=NCCN3 |
| InChIKey | QJNSVIYGOVNUCN-UHFFFAOYSA-N |
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-1-Benzazepin-2-one, 2,3,4,5-tetrahydro-1-(2-imidazolin-2-yl)methyl-. With a topological polar surface area (TPSA) of 44.7 Ų, 1H-1-Benzazepin-2-one, 2,3,4,5-tetrahydro-1-(2-imidazolin-2-yl)methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-1-Benzazepin-2-one, 2,3,4,5-tetrahydro-1-(2-imidazolin-2-yl)methyl- 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 1H-1-Benzazepin-2-one, 2,3,4,5-tetrahydro-1-(2-imidazolin-2-yl)methyl- is 54951-26-7.
The molecular formula of 1H-1-Benzazepin-2-one, 2,3,4,5-tetrahydro-1-(2-imidazolin-2-yl)methyl- is C14H17N3O.
The molecular weight of 1H-1-Benzazepin-2-one, 2,3,4,5-tetrahydro-1-(2-imidazolin-2-yl)methyl- is 243.13716 g/mol.
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