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

C20H15F3N4O2S — CID 91475025

IUPAC1-[(3-aminoquinolin-4-yl)methyl]-4-hydroxy-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one
SMILESNc1cnc2ccccc2c1Cn1cc(O)n(-c2ccc(SC(F)(F)F)cc2)c1=O
InChIInChI=1S/C20H15F3N4O2S/c21-20(22,23)30-13-7-5-12(6-8-13)27-18(28)11-26(19(27)29)10-15-14-3-1-2-4-17(14)25-9-16(15)24/h1-9,11,28H,10,24H2
InChIKeyRMZFOZIREZJUEX-UHFFFAOYSA-N
MW432.43 g/mol
LogP4.14
Rot. Bonds4

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

1-[(3-aminoquinolin-4-yl)methyl]-4-hydroxy-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one (PubChem CID 91475025) has the molecular formula C20H15F3N4O2S and a molecular weight of 432.43 g/mol. Its IUPAC name is 1-[(3-aminoquinolin-4-yl)methyl]-4-hydroxy-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one.

Molecular Properties

Compound Name1-[(3-aminoquinolin-4-yl)methyl]-4-hydroxy-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one
PubChem CID91475025
Molecular FormulaC20H15F3N4O2S
Molecular Weight432.43 g/mol
Exact Mass432.09
IUPAC Name1-[(3-aminoquinolin-4-yl)methyl]-4-hydroxy-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one
SMILESNc1cnc2ccccc2c1Cn1cc(O)n(-c2ccc(SC(F)(F)F)cc2)c1=O
InChIInChI=1S/C20H15F3N4O2S/c21-20(22,23)30-13-7-5-12(6-8-13)27-18(28)11-26(19(27)29)10-15-14-3-1-2-4-17(14)25-9-16(15)24/h1-9,11,28H,10,24H2
InChIKeyRMZFOZIREZJUEX-UHFFFAOYSA-N
XLogP4.14
TPSA86.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.43
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[(3-aminoquinolin-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-(dimethylamino)quinolin-4-yl]methyl]-4-hydroxy-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one
CID 91015074
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
4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-2-(sulfamoylamino)pyridine
CID 91185410
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
N-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]methanesulfonamide
CID 91578507
4-hydroxy-1-[[3-(2H-tetrazol-5-yl)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one
CID 90970691
4-hydroxy-1-[[3-(4-methoxyphenyl)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one
CID 91241210
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-aminoquinolin-4-yl)methyl]-4-hydroxy-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one?
The IUPAC name of 1-[(3-aminoquinolin-4-yl)methyl]-4-hydroxy-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one (CID 91475025) is 1-[(3-aminoquinolin-4-yl)methyl]-4-hydroxy-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one.
What is the SMILES notation for 1-[(3-aminoquinolin-4-yl)methyl]-4-hydroxy-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one?
The canonical SMILES for 1-[(3-aminoquinolin-4-yl)methyl]-4-hydroxy-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one is Nc1cnc2ccccc2c1Cn1cc(O)n(-c2ccc(SC(F)(F)F)cc2)c1=O.
What is the InChIKey of 1-[(3-aminoquinolin-4-yl)methyl]-4-hydroxy-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one?
The InChIKey is RMZFOZIREZJUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O2S/c21-20(22,23)30-13-7-5-12(6-8-13)27-18(28)11-26(19(27)29)10-15-14-3-1-2-4-17(14)25-9-16(15)24/h1-9,11,28H,10,24H2.
What are the key properties of 1-[(3-aminoquinolin-4-yl)methyl]-4-hydroxy-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one?
1-[(3-aminoquinolin-4-yl)methyl]-4-hydroxy-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one has a molecular weight of 432.43 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-aminoquinolin-4-yl)methyl]-4-hydroxy-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one is sourced from PubChem (CID 91475025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).