3-methyl-2-(4-methylsulfanylphenyl)-5-phenylimidazolidin-4-one

C17H18N2OS — CID 115282358

IUPAC3-methyl-2-(4-methylsulfanylphenyl)-5-phenylimidazolidin-4-one
SMILESCSc1ccc(C2NC(c3ccccc3)C(=O)N2C)cc1
InChIInChI=1S/C17H18N2OS/c1-19-16(13-8-10-14(21-2)11-9-13)18-15(17(19)20)12-6-4-3-5-7-12/h3-11,15-16,18H,1-2H3
InChIKeyLRNLVQUCMYOTKN-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.21
Rot. Bonds3

About 3-methyl-2-(4-methylsulfanylphenyl)-5-phenylimidazolidin-4-one

3-methyl-2-(4-methylsulfanylphenyl)-5-phenylimidazolidin-4-one (PubChem CID 115282358) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is 3-methyl-2-(4-methylsulfanylphenyl)-5-phenylimidazolidin-4-one.

Molecular Properties

Compound Name3-methyl-2-(4-methylsulfanylphenyl)-5-phenylimidazolidin-4-one
PubChem CID115282358
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC Name3-methyl-2-(4-methylsulfanylphenyl)-5-phenylimidazolidin-4-one
SMILESCSc1ccc(C2NC(c3ccccc3)C(=O)N2C)cc1
InChIInChI=1S/C17H18N2OS/c1-19-16(13-8-10-14(21-2)11-9-13)18-15(17(19)20)12-6-4-3-5-7-12/h3-11,15-16,18H,1-2H3
InChIKeyLRNLVQUCMYOTKN-UHFFFAOYSA-N
XLogP3.21
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,5R)-3-methyl-2,5-diphenylimidazolidin-4-one
CID 10192809
2-(4-methoxyphenyl)-3-methyl-5-phenylimidazolidin-4-one
CID 14584879
3-methyl-5-phenyl-2-thiophen-2-ylimidazolidin-4-one
CID 115282367
actinium;(2R,5S)-3-hydroxy-2,5-diphenylimidazolidin-4-one
CID 59884183
3-cyclopropyl-2,5-diphenylimidazolidin-4-one
CID 83244660
3-(cyclopropylmethyl)-5-methyl-2-(4-methylsulfanylphenyl)imidazolidin-4-one
CID 83250488
5-ethyl-3,5-dimethyl-2-(4-methylsulfanylphenyl)imidazolidin-4-one
CID 83261202
(2R)-2-(4-methylsulfanylphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
CID 804192
5-butyl-3-cyclopropyl-2-(4-methylsulfanylphenyl)imidazolidin-4-one
CID 83244937
5-benzyl-2-(4-chlorophenyl)-3-methylimidazolidin-4-one
CID 83267520
(2R,5R)-2-tert-butyl-3-methyl-5-phenylimidazolidin-4-one;2,2,2-trichloroacetic acid
CID 53260184
3-ethyl-2-(4-methylsulfanylphenyl)-5-propan-2-ylimidazolidin-4-one
CID 83239609

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(4-methylsulfanylphenyl)-5-phenylimidazolidin-4-one?
The IUPAC name of 3-methyl-2-(4-methylsulfanylphenyl)-5-phenylimidazolidin-4-one (CID 115282358) is 3-methyl-2-(4-methylsulfanylphenyl)-5-phenylimidazolidin-4-one.
What is the SMILES notation for 3-methyl-2-(4-methylsulfanylphenyl)-5-phenylimidazolidin-4-one?
The canonical SMILES for 3-methyl-2-(4-methylsulfanylphenyl)-5-phenylimidazolidin-4-one is CSc1ccc(C2NC(c3ccccc3)C(=O)N2C)cc1.
What is the InChIKey of 3-methyl-2-(4-methylsulfanylphenyl)-5-phenylimidazolidin-4-one?
The InChIKey is LRNLVQUCMYOTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-19-16(13-8-10-14(21-2)11-9-13)18-15(17(19)20)12-6-4-3-5-7-12/h3-11,15-16,18H,1-2H3.
What are the key properties of 3-methyl-2-(4-methylsulfanylphenyl)-5-phenylimidazolidin-4-one?
3-methyl-2-(4-methylsulfanylphenyl)-5-phenylimidazolidin-4-one has a molecular weight of 298.41 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(4-methylsulfanylphenyl)-5-phenylimidazolidin-4-one is sourced from PubChem (CID 115282358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).