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

C26H25F3N4O2S — CID 90754754

IUPAC4-hydroxy-5-methyl-1-[piperidin-3-yl(quinolin-4-yl)methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one
SMILESCc1c(O)n(-c2ccc(SC(F)(F)F)cc2)c(=O)n1C(c1ccnc2ccccc12)C1CCCNC1
InChIInChI=1S/C26H25F3N4O2S/c1-16-24(34)33(18-8-10-19(11-9-18)36-26(27,28)29)25(35)32(16)23(17-5-4-13-30-15-17)21-12-14-31-22-7-3-2-6-20(21)22/h2-3,6-12,14,17,23,30,34H,4-5,13,15H2,1H3
InChIKeyFVLSWWRNTQGKCT-UHFFFAOYSA-N
MW514.57 g/mol
LogP5.40
Rot. Bonds5

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

4-hydroxy-5-methyl-1-[piperidin-3-yl(quinolin-4-yl)methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one (PubChem CID 90754754) has the molecular formula C26H25F3N4O2S and a molecular weight of 514.57 g/mol. Its IUPAC name is 4-hydroxy-5-methyl-1-[piperidin-3-yl(quinolin-4-yl)methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one.

Molecular Properties

Compound Name4-hydroxy-5-methyl-1-[piperidin-3-yl(quinolin-4-yl)methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one
PubChem CID90754754
Molecular FormulaC26H25F3N4O2S
Molecular Weight514.57 g/mol
Exact Mass514.17
IUPAC Name4-hydroxy-5-methyl-1-[piperidin-3-yl(quinolin-4-yl)methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one
SMILESCc1c(O)n(-c2ccc(SC(F)(F)F)cc2)c(=O)n1C(c1ccnc2ccccc12)C1CCCNC1
InChIInChI=1S/C26H25F3N4O2S/c1-16-24(34)33(18-8-10-19(11-9-18)36-26(27,28)29)25(35)32(16)23(17-5-4-13-30-15-17)21-12-14-31-22-7-3-2-6-20(21)22/h2-3,6-12,14,17,23,30,34H,4-5,13,15H2,1H3
InChIKeyFVLSWWRNTQGKCT-UHFFFAOYSA-N
XLogP5.40
TPSA72.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.57
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-hydroxy-5-methyl-1-[piperidin-3-yl(quinolin-4-yl)methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-methyl-1-[piperidin-3-yl(quinolin-4-yl)methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one?
The IUPAC name of 4-hydroxy-5-methyl-1-[piperidin-3-yl(quinolin-4-yl)methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one (CID 90754754) is 4-hydroxy-5-methyl-1-[piperidin-3-yl(quinolin-4-yl)methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one.
What is the SMILES notation for 4-hydroxy-5-methyl-1-[piperidin-3-yl(quinolin-4-yl)methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one?
The canonical SMILES for 4-hydroxy-5-methyl-1-[piperidin-3-yl(quinolin-4-yl)methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one is Cc1c(O)n(-c2ccc(SC(F)(F)F)cc2)c(=O)n1C(c1ccnc2ccccc12)C1CCCNC1.
What is the InChIKey of 4-hydroxy-5-methyl-1-[piperidin-3-yl(quinolin-4-yl)methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one?
The InChIKey is FVLSWWRNTQGKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N4O2S/c1-16-24(34)33(18-8-10-19(11-9-18)36-26(27,28)29)25(35)32(16)23(17-5-4-13-30-15-17)21-12-14-31-22-7-3-2-6-20(21)22/h2-3,6-12,14,17,23,30,34H,4-5,13,15H2,1H3.
What are the key properties of 4-hydroxy-5-methyl-1-[piperidin-3-yl(quinolin-4-yl)methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one?
4-hydroxy-5-methyl-1-[piperidin-3-yl(quinolin-4-yl)methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one has a molecular weight of 514.57 g/mol, XLogP of 5.40, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-methyl-1-[piperidin-3-yl(quinolin-4-yl)methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one is sourced from PubChem (CID 90754754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).