1-methyl-5-[(4-methylsulfanylphenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one

C18H16N2OS2 — CID 2933601

IUPAC1-methyl-5-[(4-methylsulfanylphenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one
SMILESCSc1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N2C)cc1
InChIInChI=1S/C18H16N2OS2/c1-19-16(12-13-8-10-15(23-2)11-9-13)17(21)20(18(19)22)14-6-4-3-5-7-14/h3-12H,1-2H3
InChIKeyIMYVHPGNOBSGAI-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.01
Rot. Bonds3

About 1-methyl-5-[(4-methylsulfanylphenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one

1-methyl-5-[(4-methylsulfanylphenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 2933601) has the molecular formula C18H16N2OS2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-methyl-5-[(4-methylsulfanylphenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name1-methyl-5-[(4-methylsulfanylphenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one
PubChem CID2933601
Molecular FormulaC18H16N2OS2
Molecular Weight340.47 g/mol
Exact Mass340.07
IUPAC Name1-methyl-5-[(4-methylsulfanylphenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one
SMILESCSc1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N2C)cc1
InChIInChI=1S/C18H16N2OS2/c1-19-16(12-13-8-10-15(23-2)11-9-13)17(21)20(18(19)22)14-6-4-3-5-7-14/h3-12H,1-2H3
InChIKeyIMYVHPGNOBSGAI-UHFFFAOYSA-N
XLogP4.01
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-methyl-5-[(4-methylsulfanylphenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(4-chlorophenyl)methylidene]-1-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one
CID 898928
(5E)-5-[[4-(diethylamino)phenyl]methylidene]-1-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one
CID 1292722
1-methyl-5-(naphthalen-1-ylmethylidene)-3-phenyl-2-sulfanylideneimidazolidin-4-one
CID 900277
1-methyl-5-[(4-methylsulfanylphenyl)methylidene]-2-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-4-one
CID 4521170
(5Z)-5-[(2-ethoxyphenyl)methylidene]-1-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one
CID 126056705
(5Z)-5-[(2-chloro-4,5-dimethoxyphenyl)methylidene]-1-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one
CID 126051696
3-(4-ethoxyphenyl)-5-[(4-methoxyphenyl)methylidene]-1-methyl-2-sulfanylideneimidazolidin-4-one
CID 1312699
(5E)-5-[(3-ethoxy-4-prop-2-enoxyphenyl)methylidene]-1-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one
CID 2180414
(5E)-5-[(3-ethoxy-2-hydroxyphenyl)methylidene]-1-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one
CID 1291330
(5E)-5-[(2,5-dimethoxyphenyl)methylidene]-1-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one
CID 1312192
(5Z)-1-methyl-3-phenyl-5-[(2-phenylmethoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 126036700
(5Z)-5-[[3,5-dibromo-4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-1-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one
CID 126036184

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(4-methylsulfanylphenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 1-methyl-5-[(4-methylsulfanylphenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one (CID 2933601) is 1-methyl-5-[(4-methylsulfanylphenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 1-methyl-5-[(4-methylsulfanylphenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 1-methyl-5-[(4-methylsulfanylphenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one is CSc1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N2C)cc1.
What is the InChIKey of 1-methyl-5-[(4-methylsulfanylphenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is IMYVHPGNOBSGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2OS2/c1-19-16(12-13-8-10-15(23-2)11-9-13)17(21)20(18(19)22)14-6-4-3-5-7-14/h3-12H,1-2H3.
What are the key properties of 1-methyl-5-[(4-methylsulfanylphenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one?
1-methyl-5-[(4-methylsulfanylphenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 340.47 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(4-methylsulfanylphenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 2933601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).