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

C19H18N2O3S — CID 127045603

IUPAC(5Z)-5-[(2,4-dihydroxyphenyl)methylidene]-3-(4-ethylphenyl)-1-methyl-2-sulfanylideneimidazolidin-4-one
SMILESCCc1ccc(N2C(=O)/C(=C/c3ccc(O)cc3O)N(C)C2=S)cc1
InChIInChI=1S/C19H18N2O3S/c1-3-12-4-7-14(8-5-12)21-18(24)16(20(2)19(21)25)10-13-6-9-15(22)11-17(13)23/h4-11,22-23H,3H2,1-2H3/b16-10-
InChIKeyQHCPNUKETAPXBT-YBEGLDIGSA-N
MW354.43 g/mol
LogP3.26
Rot. Bonds3

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

(5Z)-5-[(2,4-dihydroxyphenyl)methylidene]-3-(4-ethylphenyl)-1-methyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 127045603) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is (5Z)-5-[(2,4-dihydroxyphenyl)methylidene]-3-(4-ethylphenyl)-1-methyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(2,4-dihydroxyphenyl)methylidene]-3-(4-ethylphenyl)-1-methyl-2-sulfanylideneimidazolidin-4-one
PubChem CID127045603
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC Name(5Z)-5-[(2,4-dihydroxyphenyl)methylidene]-3-(4-ethylphenyl)-1-methyl-2-sulfanylideneimidazolidin-4-one
SMILESCCc1ccc(N2C(=O)/C(=C/c3ccc(O)cc3O)N(C)C2=S)cc1
InChIInChI=1S/C19H18N2O3S/c1-3-12-4-7-14(8-5-12)21-18(24)16(20(2)19(21)25)10-13-6-9-15(22)11-17(13)23/h4-11,22-23H,3H2,1-2H3/b16-10-
InChIKeyQHCPNUKETAPXBT-YBEGLDIGSA-N
XLogP3.26
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.26
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]-3-(4-ethylphenyl)-1-methyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5Z)-5-[(2,4-dihydroxyphenyl)methylidene]-3-(4-ethylphenyl)-1-methyl-2-sulfanylideneimidazolidin-4-one (CID 127045603) is (5Z)-5-[(2,4-dihydroxyphenyl)methylidene]-3-(4-ethylphenyl)-1-methyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(2,4-dihydroxyphenyl)methylidene]-3-(4-ethylphenyl)-1-methyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5Z)-5-[(2,4-dihydroxyphenyl)methylidene]-3-(4-ethylphenyl)-1-methyl-2-sulfanylideneimidazolidin-4-one is CCc1ccc(N2C(=O)/C(=C/c3ccc(O)cc3O)N(C)C2=S)cc1.
What is the InChIKey of (5Z)-5-[(2,4-dihydroxyphenyl)methylidene]-3-(4-ethylphenyl)-1-methyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is QHCPNUKETAPXBT-YBEGLDIGSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-3-12-4-7-14(8-5-12)21-18(24)16(20(2)19(21)25)10-13-6-9-15(22)11-17(13)23/h4-11,22-23H,3H2,1-2H3/b16-10-.
What are the key properties of (5Z)-5-[(2,4-dihydroxyphenyl)methylidene]-3-(4-ethylphenyl)-1-methyl-2-sulfanylideneimidazolidin-4-one?
(5Z)-5-[(2,4-dihydroxyphenyl)methylidene]-3-(4-ethylphenyl)-1-methyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 354.43 g/mol, XLogP of 3.26, 3 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]-3-(4-ethylphenyl)-1-methyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 127045603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).