TL;DR: (S)-N-(1-(isopropylamino)-1-oxo-3-phenylpropan-2-yl)-2,3-dihydro-1H-benzo[d]imidazo[1,2-a]imidazole-1-carboxamide (CAS 1173679-69-0) is a chemical compound with molecular formula C22H25N5O2 and molecular weight 391.20084 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(2S)-1-oxo-3-phenyl-1-(propan-2-ylamino)propan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide
Also Known As: (S)-N-(1-(isopropylamino)-1-oxo-3-phenylpropan-2-yl)-2,3-dihydro-1H-benzo[d]imidazo[1,2-a]imidazole-1-carboxamide, N-[(2S)-1-oxo-3-phenyl-1-(propan-2-ylamino)propan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide, N-[(2S)-1-oxo-3-phenyl-1-(propan-2-ylamino)propan-2-yl]-2,3-dihydro-1H-imidazo[1,2-a]benzimidazole-1-carboxamide
| Molecular Formula | C22H25N5O2 |
| Molecular Weight | 391.20084 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 79.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 391.20084 Da |
| Heavy Atoms | 29 |
| Complexity | 592.0 |
| SMILES | CC(C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)N2CCN3C2=NC4=CC=CC=C43 |
| InChIKey | DQBFILDKVVTKKW-SFHVURJKSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-N-(1-(isopropylamino)-1-oxo-3-phenylpropan-2-yl)-2,3-dihydro-1H-benzo[d]imidazo[1,2-a]imidazole-1-carboxamide. The TPSA of 79.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-N-(1-(isopropylamino)-1-oxo-3-phenylpropan-2-yl)-2,3-dihydro-1H-benzo[d]imidazo[1,2-a]imidazole-1-carboxamide. Following Lipinski's Rule of Five, (S)-N-(1-(isopropylamino)-1-oxo-3-phenylpropan-2-yl)-2,3-dihydro-1H-benzo[d]imidazo[1,2-a]imidazole-1-carboxamide has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (S)-N-(1-(isopropylamino)-1-oxo-3-phenylpropan-2-yl)-2,3-dihydro-1H-benzo[d]imidazo[1,2-a]imidazole-1-carboxamide is 1173679-69-0.
The molecular formula of (S)-N-(1-(isopropylamino)-1-oxo-3-phenylpropan-2-yl)-2,3-dihydro-1H-benzo[d]imidazo[1,2-a]imidazole-1-carboxamide is C22H25N5O2.
The molecular weight of (S)-N-(1-(isopropylamino)-1-oxo-3-phenylpropan-2-yl)-2,3-dihydro-1H-benzo[d]imidazo[1,2-a]imidazole-1-carboxamide is 391.20084 g/mol.
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