TL;DR: 4-[(10aS)-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]-N-benzylbenzamide (CAS 1212083-76-5) is a chemical compound with molecular formula C25H21N3O3 and molecular weight 411.1583 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(10aS)-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]-N-benzylbenzamide
Also Known As: 4-[(10aS)-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]-N-benzylbenzamide, (S)-N-benzyl-4-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)benzamide, N-benzyl-4-[(10aS)-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]benzamide
| Molecular Formula | C25H21N3O3 |
| Molecular Weight | 411.1583 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 69.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 411.1583 Da |
| Heavy Atoms | 31 |
| Complexity | 696.0 |
| SMILES | C1[C@H]2C(=O)N(C(=O)N2CC3=CC=CC=C31)C4=CC=C(C=C4)C(=O)NCC5=CC=CC=C5 |
| InChIKey | VXMOWYJXXNCQQI-QFIPXVFZSA-N |
The XLogP value of 3.2 indicates that 4-[(10aS)-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]-N-benzylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(10aS)-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]-N-benzylbenzamide. Following Lipinski's Rule of Five, 4-[(10aS)-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]-N-benzylbenzamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-[(10aS)-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]-N-benzylbenzamide is 1212083-76-5.
The molecular formula of 4-[(10aS)-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]-N-benzylbenzamide is C25H21N3O3.
The molecular weight of 4-[(10aS)-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]-N-benzylbenzamide is 411.1583 g/mol.
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