TL;DR: 1-{[3-(1H-1,2,3-Benzotriazol-1-ylmethyl)imidazolidin-1-yl]methyl}-1H-1,2,3-benzotriazole (CAS 129410-37-3) is a chemical compound with molecular formula C17H18N8 and molecular weight 334.16544 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[[3-(benzotriazol-1-ylmethyl)imidazolidin-1-yl]methyl]benzotriazole
Also Known As: 1-{[3-(1H-1,2,3-Benzotriazol-1-ylmethyl)imidazolidin-1-yl]methyl}-1H-1,2,3-benzotriazole, 1,3-bis[(benzotriazol-1-yl)methyl]imidazolidine, 1,3-Bis(1H-benzotriazol-1-ylmethyl)imidazolidine, 1-[[3-(benzotriazol-1-ylmethyl)imidazolidin-1-yl]methyl]benzotriazole, 1,1'-[Imidazolidine-1,3-diylbis(methylene)]bis(1H-benzotriazole)
| Molecular Formula | C17H18N8 |
| Molecular Weight | 334.16544 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 67.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 334.16544 Da |
| Heavy Atoms | 25 |
| Complexity | 422.0 |
| SMILES | C1CN(CN1CN2C3=CC=CC=C3N=N2)CN4C5=CC=CC=C5N=N4 |
| InChIKey | SUCRJFKCASQPQQ-UHFFFAOYSA-N |
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-{[3-(1H-1,2,3-Benzotriazol-1-ylmethyl)imidazolidin-1-yl]methyl}-1H-1,2,3-benzotriazole. The TPSA of 67.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-{[3-(1H-1,2,3-Benzotriazol-1-ylmethyl)imidazolidin-1-yl]methyl}-1H-1,2,3-benzotriazole. Following Lipinski's Rule of Five, 1-{[3-(1H-1,2,3-Benzotriazol-1-ylmethyl)imidazolidin-1-yl]methyl}-1H-1,2,3-benzotriazole has 0 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 1-{[3-(1H-1,2,3-Benzotriazol-1-ylmethyl)imidazolidin-1-yl]methyl}-1H-1,2,3-benzotriazole is 129410-37-3.
The molecular formula of 1-{[3-(1H-1,2,3-Benzotriazol-1-ylmethyl)imidazolidin-1-yl]methyl}-1H-1,2,3-benzotriazole is C17H18N8.
The molecular weight of 1-{[3-(1H-1,2,3-Benzotriazol-1-ylmethyl)imidazolidin-1-yl]methyl}-1H-1,2,3-benzotriazole is 334.16544 g/mol.
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