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

C17H13FN2O3Se — CID 168858800

IUPAC5-[(3,5-dihydroxyphenyl)methylidene]-3-(4-fluorophenyl)-1-methyl-2-selanylideneimidazolidin-4-one
SMILESCN1C(=[Se])N(c2ccc(F)cc2)C(=O)C1=Cc1cc(O)cc(O)c1
InChIInChI=1S/C17H13FN2O3Se/c1-19-15(8-10-6-13(21)9-14(22)7-10)16(23)20(17(19)24)12-4-2-11(18)3-5-12/h2-9,21-22H,1H3
InChIKeyAVQARXGCYPMOMN-UHFFFAOYSA-N
MW391.26 g/mol
LogP1.81
Rot. Bonds2

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

5-[(3,5-dihydroxyphenyl)methylidene]-3-(4-fluorophenyl)-1-methyl-2-selanylideneimidazolidin-4-one (PubChem CID 168858800) has the molecular formula C17H13FN2O3Se and a molecular weight of 391.26 g/mol. Its IUPAC name is 5-[(3,5-dihydroxyphenyl)methylidene]-3-(4-fluorophenyl)-1-methyl-2-selanylideneimidazolidin-4-one.

Molecular Properties

Compound Name5-[(3,5-dihydroxyphenyl)methylidene]-3-(4-fluorophenyl)-1-methyl-2-selanylideneimidazolidin-4-one
PubChem CID168858800
Molecular FormulaC17H13FN2O3Se
Molecular Weight391.26 g/mol
Exact Mass392.01
IUPAC Name5-[(3,5-dihydroxyphenyl)methylidene]-3-(4-fluorophenyl)-1-methyl-2-selanylideneimidazolidin-4-one
SMILESCN1C(=[Se])N(c2ccc(F)cc2)C(=O)C1=Cc1cc(O)cc(O)c1
InChIInChI=1S/C17H13FN2O3Se/c1-19-15(8-10-6-13(21)9-14(22)7-10)16(23)20(17(19)24)12-4-2-11(18)3-5-12/h2-9,21-22H,1H3
InChIKeyAVQARXGCYPMOMN-UHFFFAOYSA-N
XLogP1.81
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.26
LogP ≤ 51.81
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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Related Compounds

5-[(3,4-dihydroxyphenyl)methylidene]-1-methyl-3-(4-methylphenyl)-2-selanylideneimidazolidin-4-one
CID 168858718
(5E)-5-[(3,4-dihydroxyphenyl)methylidene]-1-methyl-3-(4-methylphenyl)-2-selanylideneimidazolidin-4-one
CID 169047324
1-benzyl-5-[(3,5-dihydroxyphenyl)methylidene]-3-phenyl-2-selanylideneimidazolidin-4-one
CID 168858792
(5E)-5-[(2,4-dihydroxyphenyl)methylidene]-1-methyl-3-phenyl-2-selanylideneimidazolidin-4-one
CID 168679458
5-[(2,4-dihydroxyphenyl)methylidene]-3-(4-ethylphenyl)-1-methyl-2-selanylideneimidazolidin-4-one
CID 168858741
1-methyl-3-(4-methylphenyl)-5-[[4-(4-methylpiperazin-1-yl)phenyl]methylidene]-2-selanylideneimidazolidin-4-one
CID 168858784
5-[(2,3-dihydroxyphenyl)methylidene]-1-methyl-3-phenyl-2-selanylideneimidazolidin-4-one
CID 168858675
1-(4-fluorophenyl)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 6795432
methyl 1-(4-fluorophenyl)-5-[(4-hydroxyphenyl)methylidene]-2-methyl-4-oxopyrrole-3-carboxylate
CID 1360516
(5Z)-5-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-1-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one
CID 126040958
(5Z)-5-[(4-fluorophenyl)methylidene]-1-methyl-3-phenyl-1,3-diazinane-2,4,6-trione
CID 2056044
5-[(4-fluorophenyl)methylidene]-1-methyl-3-phenyl-1,3-diazinane-2,4,6-trione
CID 2836561

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dihydroxyphenyl)methylidene]-3-(4-fluorophenyl)-1-methyl-2-selanylideneimidazolidin-4-one?
The IUPAC name of 5-[(3,5-dihydroxyphenyl)methylidene]-3-(4-fluorophenyl)-1-methyl-2-selanylideneimidazolidin-4-one (CID 168858800) is 5-[(3,5-dihydroxyphenyl)methylidene]-3-(4-fluorophenyl)-1-methyl-2-selanylideneimidazolidin-4-one.
What is the SMILES notation for 5-[(3,5-dihydroxyphenyl)methylidene]-3-(4-fluorophenyl)-1-methyl-2-selanylideneimidazolidin-4-one?
The canonical SMILES for 5-[(3,5-dihydroxyphenyl)methylidene]-3-(4-fluorophenyl)-1-methyl-2-selanylideneimidazolidin-4-one is CN1C(=[Se])N(c2ccc(F)cc2)C(=O)C1=Cc1cc(O)cc(O)c1.
What is the InChIKey of 5-[(3,5-dihydroxyphenyl)methylidene]-3-(4-fluorophenyl)-1-methyl-2-selanylideneimidazolidin-4-one?
The InChIKey is AVQARXGCYPMOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O3Se/c1-19-15(8-10-6-13(21)9-14(22)7-10)16(23)20(17(19)24)12-4-2-11(18)3-5-12/h2-9,21-22H,1H3.
What are the key properties of 5-[(3,5-dihydroxyphenyl)methylidene]-3-(4-fluorophenyl)-1-methyl-2-selanylideneimidazolidin-4-one?
5-[(3,5-dihydroxyphenyl)methylidene]-3-(4-fluorophenyl)-1-methyl-2-selanylideneimidazolidin-4-one has a molecular weight of 391.26 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dihydroxyphenyl)methylidene]-3-(4-fluorophenyl)-1-methyl-2-selanylideneimidazolidin-4-one is sourced from PubChem (CID 168858800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).