(5Z)-3-(4-ethoxyphenyl)-5-[(2-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one

C19H18N2O3S — CID 6446556

IUPAC(5Z)-3-(4-ethoxyphenyl)-5-[(2-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
SMILESCCOc1ccc(N2C(=O)/C(=C/c3ccccc3OC)NC2=S)cc1
InChIInChI=1S/C19H18N2O3S/c1-3-24-15-10-8-14(9-11-15)21-18(22)16(20-19(21)25)12-13-6-4-5-7-17(13)23-2/h4-12H,3H2,1-2H3,(H,20,25)/b16-12-
InChIKeyODTIKVRDPJGCCX-VBKFSLOCSA-N
MW354.43 g/mol
LogP3.36
Rot. Bonds5

About (5Z)-3-(4-ethoxyphenyl)-5-[(2-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one

(5Z)-3-(4-ethoxyphenyl)-5-[(2-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one (PubChem CID 6446556) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is (5Z)-3-(4-ethoxyphenyl)-5-[(2-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5Z)-3-(4-ethoxyphenyl)-5-[(2-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
PubChem CID6446556
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC Name(5Z)-3-(4-ethoxyphenyl)-5-[(2-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
SMILESCCOc1ccc(N2C(=O)/C(=C/c3ccccc3OC)NC2=S)cc1
InChIInChI=1S/C19H18N2O3S/c1-3-24-15-10-8-14(9-11-15)21-18(22)16(20-19(21)25)12-13-6-4-5-7-17(13)23-2/h4-12H,3H2,1-2H3,(H,20,25)/b16-12-
InChIKeyODTIKVRDPJGCCX-VBKFSLOCSA-N
XLogP3.36
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.36
H-Bond Donors ≤ 51
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)-3-(4-ethoxyphenyl)-5-[(2-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5Z)-3-(4-ethoxyphenyl)-5-[(2-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one (CID 6446556) is (5Z)-3-(4-ethoxyphenyl)-5-[(2-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5Z)-3-(4-ethoxyphenyl)-5-[(2-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5Z)-3-(4-ethoxyphenyl)-5-[(2-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one is CCOc1ccc(N2C(=O)/C(=C/c3ccccc3OC)NC2=S)cc1.
What is the InChIKey of (5Z)-3-(4-ethoxyphenyl)-5-[(2-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The InChIKey is ODTIKVRDPJGCCX-VBKFSLOCSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-3-24-15-10-8-14(9-11-15)21-18(22)16(20-19(21)25)12-13-6-4-5-7-17(13)23-2/h4-12H,3H2,1-2H3,(H,20,25)/b16-12-.
What are the key properties of (5Z)-3-(4-ethoxyphenyl)-5-[(2-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one?
(5Z)-3-(4-ethoxyphenyl)-5-[(2-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one has a molecular weight of 354.43 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(4-ethoxyphenyl)-5-[(2-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 6446556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).