TL;DR: N-(2,3-dihydro-1H-imidazo[1,2-a]benzimidazol-1-ylcarbonyl)-L-valine (CAS 1173683-94-7) is a chemical compound with molecular formula C15H18N4O3 and molecular weight 302.13788 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-3-methylbutanoic acid
Also Known As: N-(2,3-dihydro-1H-imidazo[1,2-a]benzimidazol-1-ylcarbonyl)-L-valine, (2S)-2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-3-methylbutanoic acid, (2S)-3-Methyl-2-({2,5,7-triazatricyclo[6.4.0.0,]dodeca-1(12),6,8,10-tetraene-5-carbonyl}amino)butanoic acid, (2,3-Dihydro-1H-benzo[d]imidazo[1,2-a]imidazole-1-carbonyl)-L-valine, (S)-2-(2,3-dihydro-1H-benzo[d]imidazo[1,2-a]imidazole-1-carboxamido)-3-methylbutanoic acid
| Molecular Formula | C15H18N4O3 |
| Molecular Weight | 302.13788 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 87.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 302.13788 Da |
| Heavy Atoms | 22 |
| Complexity | 456.0 |
| SMILES | CC(C)[C@@H](C(=O)O)NC(=O)N1CCN2C1=NC3=CC=CC=C32 |
| InChIKey | HENJGQNAQVUNIK-LBPRGKRZSA-N |
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2,3-dihydro-1H-imidazo[1,2-a]benzimidazol-1-ylcarbonyl)-L-valine. The TPSA of 87.5 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2,3-dihydro-1H-imidazo[1,2-a]benzimidazol-1-ylcarbonyl)-L-valine. Following Lipinski's Rule of Five, N-(2,3-dihydro-1H-imidazo[1,2-a]benzimidazol-1-ylcarbonyl)-L-valine has 2 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 N-(2,3-dihydro-1H-imidazo[1,2-a]benzimidazol-1-ylcarbonyl)-L-valine is 1173683-94-7.
The molecular formula of N-(2,3-dihydro-1H-imidazo[1,2-a]benzimidazol-1-ylcarbonyl)-L-valine is C15H18N4O3.
The molecular weight of N-(2,3-dihydro-1H-imidazo[1,2-a]benzimidazol-1-ylcarbonyl)-L-valine is 302.13788 g/mol.
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