(4S)-4-methyl-2-methylsulfanyl-4-phenyl-1H-imidazol-5-one

C11H12N2OS — CID 139596762

IUPAC(4S)-4-methyl-2-methylsulfanyl-4-phenyl-1H-imidazol-5-one
SMILESCSC1=N[C@@](C)(c2ccccc2)C(=O)N1
InChIInChI=1S/C11H12N2OS/c1-11(8-6-4-3-5-7-8)9(14)12-10(13-11)15-2/h3-7H,1-2H3,(H,12,13,14)/t11-/m0/s1
InChIKeyQHSLNWMUUSLDBW-NSHDSACASA-N
MW220.30 g/mol
LogP1.75
Rot. Bonds1

About (4S)-4-methyl-2-methylsulfanyl-4-phenyl-1H-imidazol-5-one

(4S)-4-methyl-2-methylsulfanyl-4-phenyl-1H-imidazol-5-one (PubChem CID 139596762) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is (4S)-4-methyl-2-methylsulfanyl-4-phenyl-1H-imidazol-5-one.

Molecular Properties

Compound Name(4S)-4-methyl-2-methylsulfanyl-4-phenyl-1H-imidazol-5-one
PubChem CID139596762
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name(4S)-4-methyl-2-methylsulfanyl-4-phenyl-1H-imidazol-5-one
SMILESCSC1=N[C@@](C)(c2ccccc2)C(=O)N1
InChIInChI=1S/C11H12N2OS/c1-11(8-6-4-3-5-7-8)9(14)12-10(13-11)15-2/h3-7H,1-2H3,(H,12,13,14)/t11-/m0/s1
InChIKeyQHSLNWMUUSLDBW-NSHDSACASA-N
XLogP1.75
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-methyl-2-methylsulfanyl-4-phenyl-1H-imidazol-5-one?
The IUPAC name of (4S)-4-methyl-2-methylsulfanyl-4-phenyl-1H-imidazol-5-one (CID 139596762) is (4S)-4-methyl-2-methylsulfanyl-4-phenyl-1H-imidazol-5-one.
What is the SMILES notation for (4S)-4-methyl-2-methylsulfanyl-4-phenyl-1H-imidazol-5-one?
The canonical SMILES for (4S)-4-methyl-2-methylsulfanyl-4-phenyl-1H-imidazol-5-one is CSC1=N[C@@](C)(c2ccccc2)C(=O)N1.
What is the InChIKey of (4S)-4-methyl-2-methylsulfanyl-4-phenyl-1H-imidazol-5-one?
The InChIKey is QHSLNWMUUSLDBW-NSHDSACASA-N. The full InChI is InChI=1S/C11H12N2OS/c1-11(8-6-4-3-5-7-8)9(14)12-10(13-11)15-2/h3-7H,1-2H3,(H,12,13,14)/t11-/m0/s1.
What are the key properties of (4S)-4-methyl-2-methylsulfanyl-4-phenyl-1H-imidazol-5-one?
(4S)-4-methyl-2-methylsulfanyl-4-phenyl-1H-imidazol-5-one has a molecular weight of 220.30 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methyl-2-methylsulfanyl-4-phenyl-1H-imidazol-5-one is sourced from PubChem (CID 139596762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).