TL;DR: (Z)-N'-(5-ethoxy-2-oxoindolin-3-ylidene)-9-methyl-2-phenyl-9H-benzo[d]imidazo[1,2-a]imidazole-3-carbohydrazide (CAS 848670-37-1) is a chemical compound with molecular formula C27H22N6O3 and molecular weight 478.17532 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(5-ethoxy-2-hydroxy-1H-indol-3-yl)imino]-4-methyl-2-phenylimidazo[1,2-a]benzimidazole-1-carboxamide
Also Known As: (Z)-N'-(5-ethoxy-2-oxoindolin-3-ylidene)-9-methyl-2-phenyl-9H-benzo[d]imidazo[1,2-a]imidazole-3-carbohydrazide, N'-(5-ethoxy-2-oxoindol-3-yl)-4-methyl-2-phenylimidazo[1,2-a]benzimidazole-1-carbohydrazide, N'-[(3Z)-5-ethoxy-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-9-methyl-2-phenyl-9H-imidazo[1,2-a]benzimidazole-3-carbohydrazide
| Molecular Formula | C27H22N6O3 |
| Molecular Weight | 478.17532 g/mol |
| XLogP | 6.4 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 478.17532 Da |
| Heavy Atoms | 36 |
| Complexity | 821.0 |
| SMILES | CCOC1=CC2=C(C=C1)NC(=C2N=NC(=O)C3=C(N=C4N3C5=CC=CC=C5N4C)C6=CC=CC=C6)O |
| InChIKey | ALQIATVHUOQDMZ-UHFFFAOYSA-N |
The XLogP value of 6.4 indicates that (Z)-N'-(5-ethoxy-2-oxoindolin-3-ylidene)-9-methyl-2-phenyl-9H-benzo[d]imidazo[1,2-a]imidazole-3-carbohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-N'-(5-ethoxy-2-oxoindolin-3-ylidene)-9-methyl-2-phenyl-9H-benzo[d]imidazo[1,2-a]imidazole-3-carbohydrazide. Following Lipinski's Rule of Five, (Z)-N'-(5-ethoxy-2-oxoindolin-3-ylidene)-9-methyl-2-phenyl-9H-benzo[d]imidazo[1,2-a]imidazole-3-carbohydrazide has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (Z)-N'-(5-ethoxy-2-oxoindolin-3-ylidene)-9-methyl-2-phenyl-9H-benzo[d]imidazo[1,2-a]imidazole-3-carbohydrazide is 848670-37-1.
The molecular formula of (Z)-N'-(5-ethoxy-2-oxoindolin-3-ylidene)-9-methyl-2-phenyl-9H-benzo[d]imidazo[1,2-a]imidazole-3-carbohydrazide is C27H22N6O3.
The molecular weight of (Z)-N'-(5-ethoxy-2-oxoindolin-3-ylidene)-9-methyl-2-phenyl-9H-benzo[d]imidazo[1,2-a]imidazole-3-carbohydrazide is 478.17532 g/mol.
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