TL;DR: 4(1H)-Pyrimidinone, 2-(ethyl(1-(1-((4-fluorophenyl)methyl)-1H-benzimidazol-2-yl)-4-piperidinyl)amino)- (CAS 108612-62-0) is a chemical compound with molecular formula C25H27FN6O and molecular weight 446.22302 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[ethyl-[1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]amino]-1H-pyrimidin-6-one
Also Known As: 4(1H)-Pyrimidinone, 2-(ethyl(1-(1-((4-fluorophenyl)methyl)-1H-benzimidazol-2-yl)-4-piperidinyl)amino)-, 2-[Ethyl(1-{1-[(4-fluorophenyl)methyl]-1H-1,3-benzimidazol-2-yl}piperidin-4-yl)amino]pyrimidin-4(3H)-one, 2-[ethyl-[1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]amino]-1H-pyrimidin-6-one, 2-[ethyl-[1-[1-[(4-fluorophenyl)methyl]benzoimidazol-2-yl]-4-piperidyl]amino]-3H-pyrimidin-4-one
| Molecular Formula | C25H27FN6O |
| Molecular Weight | 446.22302 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 65.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 446.22302 Da |
| Heavy Atoms | 33 |
| Complexity | 743.0 |
| SMILES | CCN(C1CCN(CC1)C2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)F)C5=NC=CC(=O)N5 |
| InChIKey | BSMHMUCRKHWBRS-UHFFFAOYSA-N |
The XLogP value of 3.6 indicates that 4(1H)-Pyrimidinone, 2-(ethyl(1-(1-((4-fluorophenyl)methyl)-1H-benzimidazol-2-yl)-4-piperidinyl)amino)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4(1H)-Pyrimidinone, 2-(ethyl(1-(1-((4-fluorophenyl)methyl)-1H-benzimidazol-2-yl)-4-piperidinyl)amino)-. Following Lipinski's Rule of Five, 4(1H)-Pyrimidinone, 2-(ethyl(1-(1-((4-fluorophenyl)methyl)-1H-benzimidazol-2-yl)-4-piperidinyl)amino)- 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 4(1H)-Pyrimidinone, 2-(ethyl(1-(1-((4-fluorophenyl)methyl)-1H-benzimidazol-2-yl)-4-piperidinyl)amino)- is 108612-62-0.
The molecular formula of 4(1H)-Pyrimidinone, 2-(ethyl(1-(1-((4-fluorophenyl)methyl)-1H-benzimidazol-2-yl)-4-piperidinyl)amino)- is C25H27FN6O.
The molecular weight of 4(1H)-Pyrimidinone, 2-(ethyl(1-(1-((4-fluorophenyl)methyl)-1H-benzimidazol-2-yl)-4-piperidinyl)amino)- is 446.22302 g/mol.
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