TL;DR: 1H-Isoindole-1,3(2H)-dione, 2-((1-((bis(2-hydroxyethyl)amino)methyl)-1H-benzimidazol-2-yl)methyl)- (CAS 115398-81-7) is a chemical compound with molecular formula C21H22N4O4 and molecular weight 394.1641 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[1-[[bis(2-hydroxyethyl)amino]methyl]benzimidazol-2-yl]methyl]isoindole-1,3-dione
Also Known As: 1H-Isoindole-1,3(2H)-dione, 2-((1-((bis(2-hydroxyethyl)amino)methyl)-1H-benzimidazol-2-yl)methyl)-, 2-[[1-[[bis(2-hydroxyethyl)amino]methyl]benzimidazol-2-yl]methyl]isoindole-1,3-dione, 2-[(1-{[Bis(2-hydroxyethyl)amino]methyl}-1H-1,3-benzimidazol-2-yl)methyl]-1H-isoindole-1,3(2H)-dione
| Molecular Formula | C21H22N4O4 |
| Molecular Weight | 394.1641 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 98.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 394.1641 Da |
| Heavy Atoms | 29 |
| Complexity | 573.0 |
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=NC4=CC=CC=C4N3CN(CCO)CCO |
| InChIKey | ZONYFZLTWGHOLT-UHFFFAOYSA-N |
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Isoindole-1,3(2H)-dione, 2-((1-((bis(2-hydroxyethyl)amino)methyl)-1H-benzimidazol-2-yl)methyl)-. The TPSA of 98.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Isoindole-1,3(2H)-dione, 2-((1-((bis(2-hydroxyethyl)amino)methyl)-1H-benzimidazol-2-yl)methyl)-. Following Lipinski's Rule of Five, 1H-Isoindole-1,3(2H)-dione, 2-((1-((bis(2-hydroxyethyl)amino)methyl)-1H-benzimidazol-2-yl)methyl)- has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1H-Isoindole-1,3(2H)-dione, 2-((1-((bis(2-hydroxyethyl)amino)methyl)-1H-benzimidazol-2-yl)methyl)- is 115398-81-7.
The molecular formula of 1H-Isoindole-1,3(2H)-dione, 2-((1-((bis(2-hydroxyethyl)amino)methyl)-1H-benzimidazol-2-yl)methyl)- is C21H22N4O4.
The molecular weight of 1H-Isoindole-1,3(2H)-dione, 2-((1-((bis(2-hydroxyethyl)amino)methyl)-1H-benzimidazol-2-yl)methyl)- is 394.1641 g/mol.
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