5-amino-3-methyl-4-[4-(trifluoromethylsulfanyl)phenyl]-4H-imidazol-2-one

C11H10F3N3OS — CID 79959270

IUPAC5-amino-3-methyl-4-[4-(trifluoromethylsulfanyl)phenyl]-4H-imidazol-2-one
SMILESCN1C(=O)N=C(N)C1c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C11H10F3N3OS/c1-17-8(9(15)16-10(17)18)6-2-4-7(5-3-6)19-11(12,13)14/h2-5,8H,1H3,(H2,15,16,18)
InChIKeyOIEIGKWVJIGHNV-UHFFFAOYSA-N
MW289.28 g/mol
LogP2.76
Rot. Bonds2

About 5-amino-3-methyl-4-[4-(trifluoromethylsulfanyl)phenyl]-4H-imidazol-2-one

5-amino-3-methyl-4-[4-(trifluoromethylsulfanyl)phenyl]-4H-imidazol-2-one (PubChem CID 79959270) has the molecular formula C11H10F3N3OS and a molecular weight of 289.28 g/mol. Its IUPAC name is 5-amino-3-methyl-4-[4-(trifluoromethylsulfanyl)phenyl]-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-3-methyl-4-[4-(trifluoromethylsulfanyl)phenyl]-4H-imidazol-2-one
PubChem CID79959270
Molecular FormulaC11H10F3N3OS
Molecular Weight289.28 g/mol
Exact Mass289.05
IUPAC Name5-amino-3-methyl-4-[4-(trifluoromethylsulfanyl)phenyl]-4H-imidazol-2-one
SMILESCN1C(=O)N=C(N)C1c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C11H10F3N3OS/c1-17-8(9(15)16-10(17)18)6-2-4-7(5-3-6)19-11(12,13)14/h2-5,8H,1H3,(H2,15,16,18)
InChIKeyOIEIGKWVJIGHNV-UHFFFAOYSA-N
XLogP2.76
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-methyl-4-[4-(trifluoromethylsulfanyl)phenyl]-4H-imidazol-2-one?
The IUPAC name of 5-amino-3-methyl-4-[4-(trifluoromethylsulfanyl)phenyl]-4H-imidazol-2-one (CID 79959270) is 5-amino-3-methyl-4-[4-(trifluoromethylsulfanyl)phenyl]-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-3-methyl-4-[4-(trifluoromethylsulfanyl)phenyl]-4H-imidazol-2-one?
The canonical SMILES for 5-amino-3-methyl-4-[4-(trifluoromethylsulfanyl)phenyl]-4H-imidazol-2-one is CN1C(=O)N=C(N)C1c1ccc(SC(F)(F)F)cc1.
What is the InChIKey of 5-amino-3-methyl-4-[4-(trifluoromethylsulfanyl)phenyl]-4H-imidazol-2-one?
The InChIKey is OIEIGKWVJIGHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3OS/c1-17-8(9(15)16-10(17)18)6-2-4-7(5-3-6)19-11(12,13)14/h2-5,8H,1H3,(H2,15,16,18).
What are the key properties of 5-amino-3-methyl-4-[4-(trifluoromethylsulfanyl)phenyl]-4H-imidazol-2-one?
5-amino-3-methyl-4-[4-(trifluoromethylsulfanyl)phenyl]-4H-imidazol-2-one has a molecular weight of 289.28 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-methyl-4-[4-(trifluoromethylsulfanyl)phenyl]-4H-imidazol-2-one is sourced from PubChem (CID 79959270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).