TL;DR: (E)-2-(2-(3,4-dimethoxybenzyl)-1H-benzo[d]imidazol-1-yl)-N'-(3,4-dimethoxybenzylidene)acetohydrazide (CAS 1029014-17-2) is a chemical compound with molecular formula C27H28N4O5 and molecular weight 488.20596 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]acetamide
Also Known As: (E)-2-(2-(3,4-dimethoxybenzyl)-1H-benzo[d]imidazol-1-yl)-N'-(3,4-dimethoxybenzylidene)acetohydrazide, [2-(3,4-Dimethoxy-benzyl)-benzoimidazol-1-yl]-acetic acid [1-(3,4-dimethoxy-phenyl)-meth-(E)-ylidene]-hydrazide
| Molecular Formula | C27H28N4O5 |
| Molecular Weight | 488.20596 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 96.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 488.20596 Da |
| Heavy Atoms | 36 |
| Complexity | 724.0 |
| SMILES | COC1=C(C=C(C=C1)CC2=NC3=CC=CC=C3N2CC(=O)N/N=C/C4=CC(=C(C=C4)OC)OC)OC |
| InChIKey | DWBNMUXKKSNVTN-LQKURTRISA-N |
The XLogP value of 4.4 indicates that (E)-2-(2-(3,4-dimethoxybenzyl)-1H-benzo[d]imidazol-1-yl)-N'-(3,4-dimethoxybenzylidene)acetohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.2 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-(2-(3,4-dimethoxybenzyl)-1H-benzo[d]imidazol-1-yl)-N'-(3,4-dimethoxybenzylidene)acetohydrazide. Following Lipinski's Rule of Five, (E)-2-(2-(3,4-dimethoxybenzyl)-1H-benzo[d]imidazol-1-yl)-N'-(3,4-dimethoxybenzylidene)acetohydrazide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (E)-2-(2-(3,4-dimethoxybenzyl)-1H-benzo[d]imidazol-1-yl)-N'-(3,4-dimethoxybenzylidene)acetohydrazide is 1029014-17-2.
The molecular formula of (E)-2-(2-(3,4-dimethoxybenzyl)-1H-benzo[d]imidazol-1-yl)-N'-(3,4-dimethoxybenzylidene)acetohydrazide is C27H28N4O5.
The molecular weight of (E)-2-(2-(3,4-dimethoxybenzyl)-1H-benzo[d]imidazol-1-yl)-N'-(3,4-dimethoxybenzylidene)acetohydrazide is 488.20596 g/mol.
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