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

C18H16N2OS2 — CID 2180985

IUPAC(5Z)-1-methyl-5-[(4-methylsulfanylphenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one
SMILESCSc1ccc(/C=C2/C(=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/b16-12-
InChIKeyIMYVHPGNOBSGAI-VBKFSLOCSA-N
MW340.47 g/mol
LogP4.01
Rot. Bonds3

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

(5Z)-1-methyl-5-[(4-methylsulfanylphenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 2180985) has the molecular formula C18H16N2OS2 and a molecular weight of 340.47 g/mol. Its IUPAC name is (5Z)-1-methyl-5-[(4-methylsulfanylphenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5Z)-1-methyl-5-[(4-methylsulfanylphenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one
PubChem CID2180985
Molecular FormulaC18H16N2OS2
Molecular Weight340.47 g/mol
Exact Mass340.07
IUPAC Name(5Z)-1-methyl-5-[(4-methylsulfanylphenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one
SMILESCSc1ccc(/C=C2/C(=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/b16-12-
InChIKeyIMYVHPGNOBSGAI-VBKFSLOCSA-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'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-1-methyl-5-[(4-methylsulfanylphenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5Z)-1-methyl-5-[(4-methylsulfanylphenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one (CID 2180985) is (5Z)-1-methyl-5-[(4-methylsulfanylphenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5Z)-1-methyl-5-[(4-methylsulfanylphenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5Z)-1-methyl-5-[(4-methylsulfanylphenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one is CSc1ccc(/C=C2/C(=O)N(c3ccccc3)C(=S)N2C)cc1.
What is the InChIKey of (5Z)-1-methyl-5-[(4-methylsulfanylphenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is IMYVHPGNOBSGAI-VBKFSLOCSA-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/b16-12-.
What are the key properties of (5Z)-1-methyl-5-[(4-methylsulfanylphenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one?
(5Z)-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 (5Z)-1-methyl-5-[(4-methylsulfanylphenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 2180985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).