4-hydroxy-5-methyl-1-[(2-piperidin-1-ylquinolin-4-yl)methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one

C26H25F3N4O2S — CID 91200862

About 4-hydroxy-5-methyl-1-[(2-piperidin-1-ylquinolin-4-yl)methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one

4-hydroxy-5-methyl-1-[(2-piperidin-1-ylquinolin-4-yl)methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one (PubChem CID 91200862) has the molecular formula C26H25F3N4O2S and a molecular weight of 514.57 g/mol. Its IUPAC name is 4-hydroxy-5-methyl-1-[(2-piperidin-1-ylquinolin-4-yl)methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one.

Molecular Properties

• Compound Name: 4-hydroxy-5-methyl-1-[(2-piperidin-1-ylquinolin-4-yl)methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one
• PubChem CID: 91200862
• Molecular Formula: C26H25F3N4O2S
• Molecular Weight: 514.57 g/mol
• Exact Mass: 514.17
• IUPAC Name: 4-hydroxy-5-methyl-1-[(2-piperidin-1-ylquinolin-4-yl)methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one
• SMILES: Cc1c(O)n(-c2ccc(SC(F)(F)F)cc2)c(=O)n1Cc1cc(N2CCCCC2)nc2ccccc12
• InChI: InChI=1S/C26H25F3N4O2S/c1-17-24(34)33(19-9-11-20(12-10-19)36-26(27,28)29)25(35)32(17)16-18-15-23(31-13-5-2-6-14-31)30-22-8-4-3-7-21(18)22/h3-4,7-12,15,34H,2,5-6,13-14,16H2,1H3
• InChIKey: BGQVIWFXFALRMO-UHFFFAOYSA-N
• XLogP: 5.85
• TPSA: 63.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	514.57
LogP ≤ 5	5.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-methyl-1-[(2-piperidin-1-ylquinolin-4-yl)methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one?

The IUPAC name of 4-hydroxy-5-methyl-1-[(2-piperidin-1-ylquinolin-4-yl)methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one (CID 91200862) is 4-hydroxy-5-methyl-1-[(2-piperidin-1-ylquinolin-4-yl)methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one.

What is the SMILES notation for 4-hydroxy-5-methyl-1-[(2-piperidin-1-ylquinolin-4-yl)methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one?

The canonical SMILES for 4-hydroxy-5-methyl-1-[(2-piperidin-1-ylquinolin-4-yl)methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one is Cc1c(O)n(-c2ccc(SC(F)(F)F)cc2)c(=O)n1Cc1cc(N2CCCCC2)nc2ccccc12.

What is the InChIKey of 4-hydroxy-5-methyl-1-[(2-piperidin-1-ylquinolin-4-yl)methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one?

The InChIKey is BGQVIWFXFALRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N4O2S/c1-17-24(34)33(19-9-11-20(12-10-19)36-26(27,28)29)25(35)32(17)16-18-15-23(31-13-5-2-6-14-31)30-22-8-4-3-7-21(18)22/h3-4,7-12,15,34H,2,5-6,13-14,16H2,1H3.

What are the key properties of 4-hydroxy-5-methyl-1-[(2-piperidin-1-ylquinolin-4-yl)methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one?

4-hydroxy-5-methyl-1-[(2-piperidin-1-ylquinolin-4-yl)methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one has a molecular weight of 514.57 g/mol, XLogP of 5.85, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-hydroxy-5-methyl-1-[(2-piperidin-1-ylquinolin-4-yl)methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one is sourced from PubChem (CID 91200862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).