TL;DR: methyl N-(2,3-dihydro-1H-imidazo[1,2-a]benzimidazol-1-ylcarbonyl)-L-methioninate (CAS 1173684-76-8) is a chemical compound with molecular formula C16H20N4O3S and molecular weight 348.1256 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (2S)-2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-4-methylsulfanylbutanoate
Also Known As: methyl N-(2,3-dihydro-1H-imidazo[1,2-a]benzimidazol-1-ylcarbonyl)-L-methioninate, (S)-methyl 2-(2,3-dihydro-1H-benzo[d]imidazo[1,2-a]imidazole-1-carboxamido)-4-(methylthio)butanoate, methyl (2S)-2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-4-methylsulfanylbutanoate, METHYL (2S)-2-[(2,3-DIHYDRO-1H-IMIDAZO[1,2-A][1,3]BENZIMIDAZOL-1-YLCARBONYL)AMINO]-4-(METHYLSULFANYL)BUTANOATE
| Molecular Formula | C16H20N4O3S |
| Molecular Weight | 348.1256 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 348.1256 Da |
| Heavy Atoms | 24 |
| Complexity | 478.0 |
| SMILES | COC(=O)[C@H](CCSC)NC(=O)N1CCN2C1=NC3=CC=CC=C32 |
| InChIKey | MEYXFBGJEVBYQW-LBPRGKRZSA-N |
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N-(2,3-dihydro-1H-imidazo[1,2-a]benzimidazol-1-ylcarbonyl)-L-methioninate. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl N-(2,3-dihydro-1H-imidazo[1,2-a]benzimidazol-1-ylcarbonyl)-L-methioninate. Following Lipinski's Rule of Five, methyl N-(2,3-dihydro-1H-imidazo[1,2-a]benzimidazol-1-ylcarbonyl)-L-methioninate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of methyl N-(2,3-dihydro-1H-imidazo[1,2-a]benzimidazol-1-ylcarbonyl)-L-methioninate is 1173684-76-8.
The molecular formula of methyl N-(2,3-dihydro-1H-imidazo[1,2-a]benzimidazol-1-ylcarbonyl)-L-methioninate is C16H20N4O3S.
The molecular weight of methyl N-(2,3-dihydro-1H-imidazo[1,2-a]benzimidazol-1-ylcarbonyl)-L-methioninate is 348.1256 g/mol.
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