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

C22H19F3N4O2S — CID 91015074

IUPAC1-[[3-(dimethylamino)quinolin-4-yl]methyl]-4-hydroxy-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one
SMILESCN(C)c1cnc2ccccc2c1Cn1cc(O)n(-c2ccc(SC(F)(F)F)cc2)c1=O
InChIInChI=1S/C22H19F3N4O2S/c1-27(2)19-11-26-18-6-4-3-5-16(18)17(19)12-28-13-20(30)29(21(28)31)14-7-9-15(10-8-14)32-22(23,24)25/h3-11,13,30H,12H2,1-2H3
InChIKeyRKNBTUMNTAZSCO-UHFFFAOYSA-N
MW460.48 g/mol
LogP4.62
Rot. Bonds5

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

1-[[3-(dimethylamino)quinolin-4-yl]methyl]-4-hydroxy-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one (PubChem CID 91015074) has the molecular formula C22H19F3N4O2S and a molecular weight of 460.48 g/mol. Its IUPAC name is 1-[[3-(dimethylamino)quinolin-4-yl]methyl]-4-hydroxy-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one.

Molecular Properties

Compound Name1-[[3-(dimethylamino)quinolin-4-yl]methyl]-4-hydroxy-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one
PubChem CID91015074
Molecular FormulaC22H19F3N4O2S
Molecular Weight460.48 g/mol
Exact Mass460.12
IUPAC Name1-[[3-(dimethylamino)quinolin-4-yl]methyl]-4-hydroxy-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one
SMILESCN(C)c1cnc2ccccc2c1Cn1cc(O)n(-c2ccc(SC(F)(F)F)cc2)c1=O
InChIInChI=1S/C22H19F3N4O2S/c1-27(2)19-11-26-18-6-4-3-5-16(18)17(19)12-28-13-20(30)29(21(28)31)14-7-9-15(10-8-14)32-22(23,24)25/h3-11,13,30H,12H2,1-2H3
InChIKeyRKNBTUMNTAZSCO-UHFFFAOYSA-N
XLogP4.62
TPSA63.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.48
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[[3-(dimethylamino)quinolin-4-yl]methyl]-4-hydroxy-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

Related Compounds

1-[(3-aminoquinolin-4-yl)methyl]-4-hydroxy-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one
CID 91475025
1-[(3-aminoquinolin-4-yl)methyl]-4-hydroxy-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one
CID 90750582
4-hydroxy-1-[(7-methoxyquinolin-4-yl)methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one
CID 91337406
N-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]methanesulfonamide
CID 91578507
4-hydroxy-1-[(3-piperidin-1-yl-4-pyridinyl)methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one
CID 90889434
N'-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]benzohydrazide
CID 91282632
phenyl N-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]carbamate
CID 90897394
4-hydroxy-1-[[3-(4-methoxyphenyl)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one
CID 91241210
4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-2-(sulfamoylamino)pyridine
CID 91185410
4-hydroxy-1-[[3-(2H-tetrazol-5-yl)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one
CID 90970691
propan-2-yl N-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]carbamate
CID 91310662
4-hydroxy-1-[[2-(methylamino)quinolin-4-yl]methyl]-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one
CID 90968606

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(dimethylamino)quinolin-4-yl]methyl]-4-hydroxy-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one?
The IUPAC name of 1-[[3-(dimethylamino)quinolin-4-yl]methyl]-4-hydroxy-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one (CID 91015074) is 1-[[3-(dimethylamino)quinolin-4-yl]methyl]-4-hydroxy-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one.
What is the SMILES notation for 1-[[3-(dimethylamino)quinolin-4-yl]methyl]-4-hydroxy-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one?
The canonical SMILES for 1-[[3-(dimethylamino)quinolin-4-yl]methyl]-4-hydroxy-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one is CN(C)c1cnc2ccccc2c1Cn1cc(O)n(-c2ccc(SC(F)(F)F)cc2)c1=O.
What is the InChIKey of 1-[[3-(dimethylamino)quinolin-4-yl]methyl]-4-hydroxy-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one?
The InChIKey is RKNBTUMNTAZSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N4O2S/c1-27(2)19-11-26-18-6-4-3-5-16(18)17(19)12-28-13-20(30)29(21(28)31)14-7-9-15(10-8-14)32-22(23,24)25/h3-11,13,30H,12H2,1-2H3.
What are the key properties of 1-[[3-(dimethylamino)quinolin-4-yl]methyl]-4-hydroxy-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one?
1-[[3-(dimethylamino)quinolin-4-yl]methyl]-4-hydroxy-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one has a molecular weight of 460.48 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(dimethylamino)quinolin-4-yl]methyl]-4-hydroxy-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one is sourced from PubChem (CID 91015074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).