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

C19H18N2O3Se — CID 168858741

IUPAC5-[(2,4-dihydroxyphenyl)methylidene]-3-(4-ethylphenyl)-1-methyl-2-selanylideneimidazolidin-4-one
SMILESCCc1ccc(N2C(=O)C(=Cc3ccc(O)cc3O)N(C)C2=[Se])cc1
InChIInChI=1S/C19H18N2O3Se/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
InChIKeyQEATYGWTGPBITI-UHFFFAOYSA-N
MW401.32 g/mol
LogP2.24
Rot. Bonds3

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

5-[(2,4-dihydroxyphenyl)methylidene]-3-(4-ethylphenyl)-1-methyl-2-selanylideneimidazolidin-4-one (PubChem CID 168858741) has the molecular formula C19H18N2O3Se and a molecular weight of 401.32 g/mol. Its IUPAC name is 5-[(2,4-dihydroxyphenyl)methylidene]-3-(4-ethylphenyl)-1-methyl-2-selanylideneimidazolidin-4-one.

Molecular Properties

Compound Name5-[(2,4-dihydroxyphenyl)methylidene]-3-(4-ethylphenyl)-1-methyl-2-selanylideneimidazolidin-4-one
PubChem CID168858741
Molecular FormulaC19H18N2O3Se
Molecular Weight401.32 g/mol
Exact Mass402.05
IUPAC Name5-[(2,4-dihydroxyphenyl)methylidene]-3-(4-ethylphenyl)-1-methyl-2-selanylideneimidazolidin-4-one
SMILESCCc1ccc(N2C(=O)C(=Cc3ccc(O)cc3O)N(C)C2=[Se])cc1
InChIInChI=1S/C19H18N2O3Se/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
InChIKeyQEATYGWTGPBITI-UHFFFAOYSA-N
XLogP2.24
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.32
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dihydroxyphenyl)methylidene]-3-(4-ethylphenyl)-1-methyl-2-selanylideneimidazolidin-4-one?
The IUPAC name of 5-[(2,4-dihydroxyphenyl)methylidene]-3-(4-ethylphenyl)-1-methyl-2-selanylideneimidazolidin-4-one (CID 168858741) is 5-[(2,4-dihydroxyphenyl)methylidene]-3-(4-ethylphenyl)-1-methyl-2-selanylideneimidazolidin-4-one.
What is the SMILES notation for 5-[(2,4-dihydroxyphenyl)methylidene]-3-(4-ethylphenyl)-1-methyl-2-selanylideneimidazolidin-4-one?
The canonical SMILES for 5-[(2,4-dihydroxyphenyl)methylidene]-3-(4-ethylphenyl)-1-methyl-2-selanylideneimidazolidin-4-one is CCc1ccc(N2C(=O)C(=Cc3ccc(O)cc3O)N(C)C2=[Se])cc1.
What is the InChIKey of 5-[(2,4-dihydroxyphenyl)methylidene]-3-(4-ethylphenyl)-1-methyl-2-selanylideneimidazolidin-4-one?
The InChIKey is QEATYGWTGPBITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3Se/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.
What are the key properties of 5-[(2,4-dihydroxyphenyl)methylidene]-3-(4-ethylphenyl)-1-methyl-2-selanylideneimidazolidin-4-one?
5-[(2,4-dihydroxyphenyl)methylidene]-3-(4-ethylphenyl)-1-methyl-2-selanylideneimidazolidin-4-one has a molecular weight of 401.32 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dihydroxyphenyl)methylidene]-3-(4-ethylphenyl)-1-methyl-2-selanylideneimidazolidin-4-one is sourced from PubChem (CID 168858741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).