TL;DR: 3-[({3-nitro-4-methylphenyl}imino)methyl]-2-methyl-1H-indole (CAS 1351355-62-8) is a chemical compound with molecular formula C17H15N3O2 and molecular weight 293.11642 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-methyl-1H-indol-3-yl)-N-(4-methyl-3-nitrophenyl)methanimine
Also Known As: 3-[({3-nitro-4-methylphenyl}imino)methyl]-2-methyl-1H-indole, 4-methyl-N-[(2-methyl-1H-indol-3-yl)methylene]-3-nitroaniline, 4-methyl-N-[(2-methylindol-3-ylidene)methyl]-3-nitroaniline, 1-(2-methyl-1H-indol-3-yl)-N-(4-methyl-3-nitro-phenyl)methanimine, 1-(2-methyl-1H-indol-3-yl)-N-(4-methyl-3-nitrophenyl)methanimine
| Molecular Formula | C17H15N3O2 |
| Molecular Weight | 293.11642 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 74.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 293.11642 Da |
| Heavy Atoms | 22 |
| Complexity | 434.0 |
| SMILES | CC1=C(C=C(C=C1)N=CC2=C(NC3=CC=CC=C32)C)[N+](=O)[O-] |
| InChIKey | QZTDTIXHCSLDBV-UHFFFAOYSA-N |
The XLogP value of 3.9 indicates that 3-[({3-nitro-4-methylphenyl}imino)methyl]-2-methyl-1H-indole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[({3-nitro-4-methylphenyl}imino)methyl]-2-methyl-1H-indole. Following Lipinski's Rule of Five, 3-[({3-nitro-4-methylphenyl}imino)methyl]-2-methyl-1H-indole 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 3-[({3-nitro-4-methylphenyl}imino)methyl]-2-methyl-1H-indole is 1351355-62-8.
The molecular formula of 3-[({3-nitro-4-methylphenyl}imino)methyl]-2-methyl-1H-indole is C17H15N3O2.
The molecular weight of 3-[({3-nitro-4-methylphenyl}imino)methyl]-2-methyl-1H-indole is 293.11642 g/mol.
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