TL;DR: 4H-Imidazol-4-one,3,5-dihydro-2-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)-5-[(2-phenyl-1H-indol-3-yl)methylene]- (CAS 143658-85-9) is a chemical compound with molecular formula C22H17N5OS and molecular weight 399.1154 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)-5-[(2-phenylindol-3-ylidene)methyl]imidazol-4-ol
Also Known As: 4H-Imidazol-4-one,3,5-dihydro-2-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)-5-[(2-phenyl-1H-indol-3-yl)methylene]-
| Molecular Formula | C22H17N5OS |
| Molecular Weight | 399.1154 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 399.1154 Da |
| Heavy Atoms | 29 |
| Complexity | 664.0 |
| SMILES | CC1=NC(=C(N1C2=NN=C(S2)C)O)C=C3C4=CC=CC=C4N=C3C5=CC=CC=C5 |
| InChIKey | VQTJNDTWDDUPEE-UHFFFAOYSA-N |
The XLogP value of 4.5 indicates that 4H-Imidazol-4-one,3,5-dihydro-2-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)-5-[(2-phenyl-1H-indol-3-yl)methylene]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H-Imidazol-4-one,3,5-dihydro-2-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)-5-[(2-phenyl-1H-indol-3-yl)methylene]-. Following Lipinski's Rule of Five, 4H-Imidazol-4-one,3,5-dihydro-2-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)-5-[(2-phenyl-1H-indol-3-yl)methylene]- has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4H-Imidazol-4-one,3,5-dihydro-2-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)-5-[(2-phenyl-1H-indol-3-yl)methylene]- is 143658-85-9.
The molecular formula of 4H-Imidazol-4-one,3,5-dihydro-2-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)-5-[(2-phenyl-1H-indol-3-yl)methylene]- is C22H17N5OS.
The molecular weight of 4H-Imidazol-4-one,3,5-dihydro-2-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)-5-[(2-phenyl-1H-indol-3-yl)methylene]- is 399.1154 g/mol.
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