(5S)-3-anilino-5-(4-fluorophenyl)-5-methyl-2-methylsulfanylimidazol-4-one

C17H16FN3OS — CID 165340931

IUPAC(5S)-3-anilino-5-(4-fluorophenyl)-5-methyl-2-methylsulfanylimidazol-4-one
SMILESCSC1=N[C@@](C)(c2ccc(F)cc2)C(=O)N1Nc1ccccc1
InChIInChI=1S/C17H16FN3OS/c1-17(12-8-10-13(18)11-9-12)15(22)21(16(19-17)23-2)20-14-6-4-3-5-7-14/h3-11,20H,1-2H3/t17-/m0/s1
InChIKeySPPGOTBUAJHRHI-KRWDZBQOSA-N
MW329.40 g/mol
LogP3.63
Rot. Bonds3

About (5S)-3-anilino-5-(4-fluorophenyl)-5-methyl-2-methylsulfanylimidazol-4-one

(5S)-3-anilino-5-(4-fluorophenyl)-5-methyl-2-methylsulfanylimidazol-4-one (PubChem CID 165340931) has the molecular formula C17H16FN3OS and a molecular weight of 329.40 g/mol. Its IUPAC name is (5S)-3-anilino-5-(4-fluorophenyl)-5-methyl-2-methylsulfanylimidazol-4-one.

Molecular Properties

Compound Name(5S)-3-anilino-5-(4-fluorophenyl)-5-methyl-2-methylsulfanylimidazol-4-one
PubChem CID165340931
Molecular FormulaC17H16FN3OS
Molecular Weight329.40 g/mol
Exact Mass329.10
IUPAC Name(5S)-3-anilino-5-(4-fluorophenyl)-5-methyl-2-methylsulfanylimidazol-4-one
SMILESCSC1=N[C@@](C)(c2ccc(F)cc2)C(=O)N1Nc1ccccc1
InChIInChI=1S/C17H16FN3OS/c1-17(12-8-10-13(18)11-9-12)15(22)21(16(19-17)23-2)20-14-6-4-3-5-7-14/h3-11,20H,1-2H3/t17-/m0/s1
InChIKeySPPGOTBUAJHRHI-KRWDZBQOSA-N
XLogP3.63
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-anilino-5-(4-fluorophenyl)-5-methyl-2-methylsulfanylimidazol-4-one?
The IUPAC name of (5S)-3-anilino-5-(4-fluorophenyl)-5-methyl-2-methylsulfanylimidazol-4-one (CID 165340931) is (5S)-3-anilino-5-(4-fluorophenyl)-5-methyl-2-methylsulfanylimidazol-4-one.
What is the SMILES notation for (5S)-3-anilino-5-(4-fluorophenyl)-5-methyl-2-methylsulfanylimidazol-4-one?
The canonical SMILES for (5S)-3-anilino-5-(4-fluorophenyl)-5-methyl-2-methylsulfanylimidazol-4-one is CSC1=N[C@@](C)(c2ccc(F)cc2)C(=O)N1Nc1ccccc1.
What is the InChIKey of (5S)-3-anilino-5-(4-fluorophenyl)-5-methyl-2-methylsulfanylimidazol-4-one?
The InChIKey is SPPGOTBUAJHRHI-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H16FN3OS/c1-17(12-8-10-13(18)11-9-12)15(22)21(16(19-17)23-2)20-14-6-4-3-5-7-14/h3-11,20H,1-2H3/t17-/m0/s1.
What are the key properties of (5S)-3-anilino-5-(4-fluorophenyl)-5-methyl-2-methylsulfanylimidazol-4-one?
(5S)-3-anilino-5-(4-fluorophenyl)-5-methyl-2-methylsulfanylimidazol-4-one has a molecular weight of 329.40 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-anilino-5-(4-fluorophenyl)-5-methyl-2-methylsulfanylimidazol-4-one is sourced from PubChem (CID 165340931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).