(5Z)-5-[(2,4-dihydroxyphenyl)methylidene]-1-methyl-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one

C18H16N2O3S — CID 127043677

IUPAC(5Z)-5-[(2,4-dihydroxyphenyl)methylidene]-1-methyl-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one
SMILESCc1ccc(N2C(=O)/C(=C/c3ccc(O)cc3O)N(C)C2=S)cc1
InChIInChI=1S/C18H16N2O3S/c1-11-3-6-13(7-4-11)20-17(23)15(19(2)18(20)24)9-12-5-8-14(21)10-16(12)22/h3-10,21-22H,1-2H3/b15-9-
InChIKeyKWRHTPOCHZBICN-DHDCSXOGSA-N
MW340.40 g/mol
LogP3.01
Rot. Bonds2

About (5Z)-5-[(2,4-dihydroxyphenyl)methylidene]-1-methyl-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one

(5Z)-5-[(2,4-dihydroxyphenyl)methylidene]-1-methyl-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one (PubChem CID 127043677) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is (5Z)-5-[(2,4-dihydroxyphenyl)methylidene]-1-methyl-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(2,4-dihydroxyphenyl)methylidene]-1-methyl-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one
PubChem CID127043677
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC Name(5Z)-5-[(2,4-dihydroxyphenyl)methylidene]-1-methyl-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one
SMILESCc1ccc(N2C(=O)/C(=C/c3ccc(O)cc3O)N(C)C2=S)cc1
InChIInChI=1S/C18H16N2O3S/c1-11-3-6-13(7-4-11)20-17(23)15(19(2)18(20)24)9-12-5-8-14(21)10-16(12)22/h3-10,21-22H,1-2H3/b15-9-
InChIKeyKWRHTPOCHZBICN-DHDCSXOGSA-N
XLogP3.01
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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)-5-[(2,4-dihydroxyphenyl)methylidene]-1-methyl-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5Z)-5-[(2,4-dihydroxyphenyl)methylidene]-1-methyl-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one (CID 127043677) is (5Z)-5-[(2,4-dihydroxyphenyl)methylidene]-1-methyl-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(2,4-dihydroxyphenyl)methylidene]-1-methyl-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5Z)-5-[(2,4-dihydroxyphenyl)methylidene]-1-methyl-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one is Cc1ccc(N2C(=O)/C(=C/c3ccc(O)cc3O)N(C)C2=S)cc1.
What is the InChIKey of (5Z)-5-[(2,4-dihydroxyphenyl)methylidene]-1-methyl-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one?
The InChIKey is KWRHTPOCHZBICN-DHDCSXOGSA-N. The full InChI is InChI=1S/C18H16N2O3S/c1-11-3-6-13(7-4-11)20-17(23)15(19(2)18(20)24)9-12-5-8-14(21)10-16(12)22/h3-10,21-22H,1-2H3/b15-9-.
What are the key properties of (5Z)-5-[(2,4-dihydroxyphenyl)methylidene]-1-methyl-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one?
(5Z)-5-[(2,4-dihydroxyphenyl)methylidene]-1-methyl-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one has a molecular weight of 340.40 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2,4-dihydroxyphenyl)methylidene]-1-methyl-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 127043677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).