TL;DR: 2-[(1-methyl-1H-benzimidazol-2-yl)sulfanyl]-N'-[(1E,2E)-3-phenylprop-2-en-1-ylidene]acetohydrazide (CAS 163317-35-9) is a chemical compound with molecular formula C19H18N4OS and molecular weight 350.12012 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1-methylbenzimidazol-2-yl)sulfanyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
Also Known As: 2-[(1-methyl-1H-benzimidazol-2-yl)sulfanyl]-N'-[(1E,2E)-3-phenylprop-2-en-1-ylidene]acetohydrazide, (E)-2-((1-methyl-1H-benzo[d]imidazol-2-yl)thio)-N'-((E)-3-phenylallylidene)acetohydrazide, 2-(1-methylbenzimidazol-2-yl)sulfanyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide, N-((1E,3E)-4-phenyl-1-azabuta-1,3-dienyl)-2-(1-methylbenzimidazol-2-ylthio)ace tamide, 2-[(1-METHYL-1H-1,3-BENZODIAZOL-2-YL)SULFANYL]-N'-[(1E,2E)-3-PHENYLPROP-2-EN-1-YLIDENE]ACETOHYDRAZIDE
| Molecular Formula | C19H18N4OS |
| Molecular Weight | 350.12012 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 84.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 350.12012 Da |
| Heavy Atoms | 25 |
| Complexity | 490.0 |
| SMILES | CN1C2=CC=CC=C2N=C1SCC(=O)N/N=C/C=C/C3=CC=CC=C3 |
| InChIKey | SDQJEPZNGZLHFE-ADCWSOHQSA-N |
The XLogP value of 3.7 indicates that 2-[(1-methyl-1H-benzimidazol-2-yl)sulfanyl]-N'-[(1E,2E)-3-phenylprop-2-en-1-ylidene]acetohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(1-methyl-1H-benzimidazol-2-yl)sulfanyl]-N'-[(1E,2E)-3-phenylprop-2-en-1-ylidene]acetohydrazide. Following Lipinski's Rule of Five, 2-[(1-methyl-1H-benzimidazol-2-yl)sulfanyl]-N'-[(1E,2E)-3-phenylprop-2-en-1-ylidene]acetohydrazide 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-1H-benzimidazol-2-yl)sulfanyl]-N'-[(1E,2E)-3-phenylprop-2-en-1-ylidene]acetohydrazide is 163317-35-9.
The molecular formula of 2-[(1-methyl-1H-benzimidazol-2-yl)sulfanyl]-N'-[(1E,2E)-3-phenylprop-2-en-1-ylidene]acetohydrazide is C19H18N4OS.
The molecular weight of 2-[(1-methyl-1H-benzimidazol-2-yl)sulfanyl]-N'-[(1E,2E)-3-phenylprop-2-en-1-ylidene]acetohydrazide is 350.12012 g/mol.
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