TL;DR: (S)-N-(1-(isobutylamino)-1-oxo-3-phenylpropan-2-yl)-2,3-dihydro-1H-benzo[d]imidazo[1,2-a]imidazole-1-carboxamide (CAS 1173670-78-4) is a chemical compound with molecular formula C23H27N5O2 and molecular weight 405.21646 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(2S)-1-(2-methylpropylamino)-1-oxo-3-phenylpropan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide
Also Known As: (S)-N-(1-(isobutylamino)-1-oxo-3-phenylpropan-2-yl)-2,3-dihydro-1H-benzo[d]imidazo[1,2-a]imidazole-1-carboxamide, N-[(2S)-1-(2-methylpropylamino)-1-oxo-3-phenylpropan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide, N-{(2S)-1-[(2-methylpropyl)amino]-1-oxo-3-phenylpropan-2-yl}-2,3-dihydro-1H-imidazo[1,2-a]benzimidazole-1-carboxamide
| Molecular Formula | C23H27N5O2 |
| Molecular Weight | 405.21646 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 79.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 405.21646 Da |
| Heavy Atoms | 30 |
| Complexity | 606.0 |
| SMILES | CC(C)CNC(=O)[C@H](CC1=CC=CC=C1)NC(=O)N2CCN3C2=NC4=CC=CC=C43 |
| InChIKey | QVLVKGASAUDYAJ-IBGZPJMESA-N |
The XLogP value of 3.3 indicates that (S)-N-(1-(isobutylamino)-1-oxo-3-phenylpropan-2-yl)-2,3-dihydro-1H-benzo[d]imidazo[1,2-a]imidazole-1-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-N-(1-(isobutylamino)-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-(isobutylamino)-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-(isobutylamino)-1-oxo-3-phenylpropan-2-yl)-2,3-dihydro-1H-benzo[d]imidazo[1,2-a]imidazole-1-carboxamide is 1173670-78-4.
The molecular formula of (S)-N-(1-(isobutylamino)-1-oxo-3-phenylpropan-2-yl)-2,3-dihydro-1H-benzo[d]imidazo[1,2-a]imidazole-1-carboxamide is C23H27N5O2.
The molecular weight of (S)-N-(1-(isobutylamino)-1-oxo-3-phenylpropan-2-yl)-2,3-dihydro-1H-benzo[d]imidazo[1,2-a]imidazole-1-carboxamide is 405.21646 g/mol.
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