4-hydroxy-5-(2-methylsulfanylethyl)-3-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one

C13H13F3N2O2S — CID 54282779

IUPAC4-hydroxy-5-(2-methylsulfanylethyl)-3-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one
SMILESCSCCc1[nH]c(=O)n(-c2cccc(C(F)(F)F)c2)c1O
InChIInChI=1S/C13H13F3N2O2S/c1-21-6-5-10-11(19)18(12(20)17-10)9-4-2-3-8(7-9)13(14,15)16/h2-4,7,19H,5-6H2,1H3,(H,17,20)
InChIKeyRRYVQGKCYVXVJO-UHFFFAOYSA-N
MW318.32 g/mol
LogP2.80
Rot. Bonds4

About 4-hydroxy-5-(2-methylsulfanylethyl)-3-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one

4-hydroxy-5-(2-methylsulfanylethyl)-3-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one (PubChem CID 54282779) has the molecular formula C13H13F3N2O2S and a molecular weight of 318.32 g/mol. Its IUPAC name is 4-hydroxy-5-(2-methylsulfanylethyl)-3-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name4-hydroxy-5-(2-methylsulfanylethyl)-3-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one
PubChem CID54282779
Molecular FormulaC13H13F3N2O2S
Molecular Weight318.32 g/mol
Exact Mass318.06
IUPAC Name4-hydroxy-5-(2-methylsulfanylethyl)-3-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one
SMILESCSCCc1[nH]c(=O)n(-c2cccc(C(F)(F)F)c2)c1O
InChIInChI=1S/C13H13F3N2O2S/c1-21-6-5-10-11(19)18(12(20)17-10)9-4-2-3-8(7-9)13(14,15)16/h2-4,7,19H,5-6H2,1H3,(H,17,20)
InChIKeyRRYVQGKCYVXVJO-UHFFFAOYSA-N
XLogP2.80
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-3-(4-methoxyphenyl)-5-(2-methylsulfanylethyl)-1H-imidazol-2-one
CID 54324951
5-bromo-6-methyl-3-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-2,4-dione
CID 158849124
7-chloro-3-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-one
CID 117206797
6-hydroxy-5-[[6-hydroxy-2,4-dioxo-1-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]-pyridin-4-ylmethyl]-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione
CID 3264783
5-(2-methylsulfanylethyl)-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-2,4-dione
CID 110189733
6-hydroxy-5-[(1S)-3-oxo-1H-2-benzofuran-1-yl]-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione
CID 27506108
5-acetyl-3-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-2,4-dione
CID 80649586
3-[5-(3-aminopropyl)-4-hydroxy-2-oxo-1H-imidazol-3-yl]benzoic acid
CID 54268070
6-hydroxy-5-[[6-hydroxy-2,4-dioxo-1-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]-pyridin-2-ylmethyl]-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione
CID 124598307
2,3,5-trimethyl-1-[3-(trifluoromethyl)phenyl]pyrrole
CID 58636933
1-[3-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidine-2,4-dione
CID 13282380
6-amino-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione
CID 91669634

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-(2-methylsulfanylethyl)-3-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one?
The IUPAC name of 4-hydroxy-5-(2-methylsulfanylethyl)-3-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one (CID 54282779) is 4-hydroxy-5-(2-methylsulfanylethyl)-3-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one.
What is the SMILES notation for 4-hydroxy-5-(2-methylsulfanylethyl)-3-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one?
The canonical SMILES for 4-hydroxy-5-(2-methylsulfanylethyl)-3-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one is CSCCc1[nH]c(=O)n(-c2cccc(C(F)(F)F)c2)c1O.
What is the InChIKey of 4-hydroxy-5-(2-methylsulfanylethyl)-3-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one?
The InChIKey is RRYVQGKCYVXVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O2S/c1-21-6-5-10-11(19)18(12(20)17-10)9-4-2-3-8(7-9)13(14,15)16/h2-4,7,19H,5-6H2,1H3,(H,17,20).
What are the key properties of 4-hydroxy-5-(2-methylsulfanylethyl)-3-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one?
4-hydroxy-5-(2-methylsulfanylethyl)-3-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one has a molecular weight of 318.32 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-(2-methylsulfanylethyl)-3-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one is sourced from PubChem (CID 54282779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).