TL;DR: 2-(1-methyl-4-nitro-1H-pyrazol-3-yl)-1H-benzo[d]imidazole (CAS 1005588-05-5) is a chemical compound with molecular formula C11H9N5O2 and molecular weight 243.07562 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1-methyl-4-nitropyrazol-3-yl)-1H-benzimidazole
Also Known As: 2-(1-methyl-4-nitro-1H-pyrazol-3-yl)-1H-benzo[d]imidazole, 2-(1-methyl-4-nitropyrazol-3-yl)benzimidazole, 2-(1-methyl-4-nitro-1H-pyrazol-3-yl)-1H-benzimidazole, 2-(1-methyl-4-nitropyrazol-3-yl)-1H-benzimidazole, 1,1'-Biphenyl,4-ethyl-4'-[(4-propylphenyl)ethynyl]
| Molecular Formula | C11H9N5O2 |
| Molecular Weight | 243.07562 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 92.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 243.07562 Da |
| Heavy Atoms | 18 |
| Complexity | 334.0 |
| SMILES | CN1C=C(C(=N1)C2=NC3=CC=CC=C3N2)[N+](=O)[O-] |
| InChIKey | DIRQEWXMQUFGGS-UHFFFAOYSA-N |
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1-methyl-4-nitro-1H-pyrazol-3-yl)-1H-benzo[d]imidazole. The TPSA of 92.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1-methyl-4-nitro-1H-pyrazol-3-yl)-1H-benzo[d]imidazole. Following Lipinski's Rule of Five, 2-(1-methyl-4-nitro-1H-pyrazol-3-yl)-1H-benzo[d]imidazole has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-(1-methyl-4-nitro-1H-pyrazol-3-yl)-1H-benzo[d]imidazole is 1005588-05-5.
The molecular formula of 2-(1-methyl-4-nitro-1H-pyrazol-3-yl)-1H-benzo[d]imidazole is C11H9N5O2.
The molecular weight of 2-(1-methyl-4-nitro-1H-pyrazol-3-yl)-1H-benzo[d]imidazole is 243.07562 g/mol.
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