TL;DR: 2-Benzimidazolinone, 1-(1-(3-phenylthiopropyl)-1,2,3,6-tetrahydro-4-pyridyl)- (CAS 100447-45-8) is a chemical compound with molecular formula C21H23N3OS and molecular weight 365.1562 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[1-(3-phenylsulfanylpropyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-benzimidazol-2-one
Also Known As: 2-Benzimidazolinone, 1-(1-(3-phenylthiopropyl)-1,2,3,6-tetrahydro-4-pyridyl)-, 1-(1-(3-Phenylthiopropyl)-1,2,3,6-tetrahydro-4-pyridyl)-2-benzimidazolinone, 1-[1-(3-Phenylthiopropyl)-1,2,3,6-tetrahydropyridin-4-yl]-1H-benzimidazol-2(3H)-one, 3-[1-(3-phenylsulfanylpropyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-benzimidazol-2-one, 1-{1-[3-(Phenylsulfanyl)propyl]-1,2,3,6-tetrahydropyridin-4-yl}-1,3-dihydro-2H-1,3-benzimidazol-2-one
| Molecular Formula | C21H23N3OS |
| Molecular Weight | 365.1562 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 60.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 365.1562 Da |
| Heavy Atoms | 26 |
| Complexity | 517.0 |
| SMILES | C1CN(CC=C1N2C3=CC=CC=C3NC2=O)CCCSC4=CC=CC=C4 |
| InChIKey | SPOUJVRGQYCWKG-UHFFFAOYSA-N |
The XLogP value of 4.3 indicates that 2-Benzimidazolinone, 1-(1-(3-phenylthiopropyl)-1,2,3,6-tetrahydro-4-pyridyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Benzimidazolinone, 1-(1-(3-phenylthiopropyl)-1,2,3,6-tetrahydro-4-pyridyl)-. Following Lipinski's Rule of Five, 2-Benzimidazolinone, 1-(1-(3-phenylthiopropyl)-1,2,3,6-tetrahydro-4-pyridyl)- has 1 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 2-Benzimidazolinone, 1-(1-(3-phenylthiopropyl)-1,2,3,6-tetrahydro-4-pyridyl)- is 100447-45-8.
The molecular formula of 2-Benzimidazolinone, 1-(1-(3-phenylthiopropyl)-1,2,3,6-tetrahydro-4-pyridyl)- is C21H23N3OS.
The molecular weight of 2-Benzimidazolinone, 1-(1-(3-phenylthiopropyl)-1,2,3,6-tetrahydro-4-pyridyl)- is 365.1562 g/mol.
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