4-hydroxy-1-(1-pyridin-4-ylpropyl)-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one

C18H16F3N3O2S — CID 91092155

IUPAC4-hydroxy-1-(1-pyridin-4-ylpropyl)-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one
SMILESCCC(c1ccncc1)n1cc(O)n(-c2ccc(SC(F)(F)F)cc2)c1=O
InChIInChI=1S/C18H16F3N3O2S/c1-2-15(12-7-9-22-10-8-12)23-11-16(25)24(17(23)26)13-3-5-14(6-4-13)27-18(19,20)21/h3-11,15,25H,2H2,1H3
InChIKeyLLVMITHWKFXXLK-UHFFFAOYSA-N
MW395.41 g/mol
LogP4.35
Rot. Bonds5

About 4-hydroxy-1-(1-pyridin-4-ylpropyl)-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one

4-hydroxy-1-(1-pyridin-4-ylpropyl)-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one (PubChem CID 91092155) has the molecular formula C18H16F3N3O2S and a molecular weight of 395.41 g/mol. Its IUPAC name is 4-hydroxy-1-(1-pyridin-4-ylpropyl)-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one.

Molecular Properties

Compound Name4-hydroxy-1-(1-pyridin-4-ylpropyl)-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one
PubChem CID91092155
Molecular FormulaC18H16F3N3O2S
Molecular Weight395.41 g/mol
Exact Mass395.09
IUPAC Name4-hydroxy-1-(1-pyridin-4-ylpropyl)-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one
SMILESCCC(c1ccncc1)n1cc(O)n(-c2ccc(SC(F)(F)F)cc2)c1=O
InChIInChI=1S/C18H16F3N3O2S/c1-2-15(12-7-9-22-10-8-12)23-11-16(25)24(17(23)26)13-3-5-14(6-4-13)27-18(19,20)21/h3-11,15,25H,2H2,1H3
InChIKeyLLVMITHWKFXXLK-UHFFFAOYSA-N
XLogP4.35
TPSA60.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-hydroxy-1-[piperidin-2-yl(pyridin-4-yl)methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one
CID 91543620
4-hydroxy-5-methyl-1-(3-methyl-1-pyridin-4-ylbutyl)-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one
CID 91413296
4-hydroxy-1-[[3-(2H-tetrazol-5-yl)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one
CID 90970691
4-hydroxy-1-[(3-piperidin-1-yl-4-pyridinyl)methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one
CID 90889434
4-hydroxy-1-[[3-(4-methoxyphenyl)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one
CID 91241210
N-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]methanesulfonamide
CID 91578507
propan-2-yl N-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]carbamate
CID 91310662
5-methyl-1-(pyridin-4-ylmethyl)-4-sulfanyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one
CID 91059586
4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-2-(sulfamoylamino)pyridine
CID 91185410
4-hydroxy-1-[pyridin-4-yl(2-pyrrolidin-1-ylethoxy)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one
CID 91194836
4-hydroxy-1-[(7-methoxyquinolin-4-yl)methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one
CID 91337406
1-(4-chlorophenyl)-3-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-3-pyridinyl]urea
CID 90884770

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(1-pyridin-4-ylpropyl)-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one?
The IUPAC name of 4-hydroxy-1-(1-pyridin-4-ylpropyl)-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one (CID 91092155) is 4-hydroxy-1-(1-pyridin-4-ylpropyl)-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one.
What is the SMILES notation for 4-hydroxy-1-(1-pyridin-4-ylpropyl)-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one?
The canonical SMILES for 4-hydroxy-1-(1-pyridin-4-ylpropyl)-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one is CCC(c1ccncc1)n1cc(O)n(-c2ccc(SC(F)(F)F)cc2)c1=O.
What is the InChIKey of 4-hydroxy-1-(1-pyridin-4-ylpropyl)-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one?
The InChIKey is LLVMITHWKFXXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O2S/c1-2-15(12-7-9-22-10-8-12)23-11-16(25)24(17(23)26)13-3-5-14(6-4-13)27-18(19,20)21/h3-11,15,25H,2H2,1H3.
What are the key properties of 4-hydroxy-1-(1-pyridin-4-ylpropyl)-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one?
4-hydroxy-1-(1-pyridin-4-ylpropyl)-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one has a molecular weight of 395.41 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(1-pyridin-4-ylpropyl)-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one is sourced from PubChem (CID 91092155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).