TL;DR: Piperazine, 1-methyl-4-((1-methyl-5-nitro-1H-imidazol-2-yl)methyl)- (CAS 54387-29-0) is a chemical compound with molecular formula C10H17N5O2 and molecular weight 239.13823 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-methyl-4-[(1-methyl-5-nitroimidazol-2-yl)methyl]piperazine
Also Known As: DA 3804, 1-methyl-4-[(1-methyl-5-nitroimidazol-2-yl)methyl]piperazine, 5-25-09-00497 (Beilstein Handbook Reference), Piperazine, 1-methyl-4-((1-methyl-5-nitro-1H-imidazol-2-yl)methyl)-, 1-Methyl-4-((1-methyl-5-nitro-1H-imidazol-2-yl)methyl)piperazine
| Molecular Formula | C10H17N5O2 |
| Molecular Weight | 239.13823 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 70.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 239.13823 Da |
| Heavy Atoms | 17 |
| Complexity | 274.0 |
| SMILES | CN1CCN(CC1)CC2=NC=C(N2C)[N+](=O)[O-] |
| InChIKey | QBMDUIXCYDOTRQ-UHFFFAOYSA-N |
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Piperazine, 1-methyl-4-((1-methyl-5-nitro-1H-imidazol-2-yl)methyl)-. The TPSA of 70.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Piperazine, 1-methyl-4-((1-methyl-5-nitro-1H-imidazol-2-yl)methyl)-. Following Lipinski's Rule of Five, Piperazine, 1-methyl-4-((1-methyl-5-nitro-1H-imidazol-2-yl)methyl)- has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Piperazine, 1-methyl-4-((1-methyl-5-nitro-1H-imidazol-2-yl)methyl)- is 54387-29-0.
The molecular formula of Piperazine, 1-methyl-4-((1-methyl-5-nitro-1H-imidazol-2-yl)methyl)- is C10H17N5O2.
The molecular weight of Piperazine, 1-methyl-4-((1-methyl-5-nitro-1H-imidazol-2-yl)methyl)- is 239.13823 g/mol.
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