(5E)-5-[(2,4-dihydroxyphenyl)methylidene]-1-ethyl-3-phenyl-2-selanylideneimidazolidin-4-one

C18H16N2O3Se — CID 168679505

IUPAC(5E)-5-[(2,4-dihydroxyphenyl)methylidene]-1-ethyl-3-phenyl-2-selanylideneimidazolidin-4-one
SMILESCCN1C(=[Se])N(c2ccccc2)C(=O)/C1=C\c1ccc(O)cc1O
InChIInChI=1S/C18H16N2O3Se/c1-2-19-15(10-12-8-9-14(21)11-16(12)22)17(23)20(18(19)24)13-6-4-3-5-7-13/h3-11,21-22H,2H2,1H3/b15-10+
InChIKeyCTDUXIFPABUNBK-XNTDXEJSSA-N
MW387.30 g/mol
LogP2.06
Rot. Bonds3

About (5E)-5-[(2,4-dihydroxyphenyl)methylidene]-1-ethyl-3-phenyl-2-selanylideneimidazolidin-4-one

(5E)-5-[(2,4-dihydroxyphenyl)methylidene]-1-ethyl-3-phenyl-2-selanylideneimidazolidin-4-one (PubChem CID 168679505) has the molecular formula C18H16N2O3Se and a molecular weight of 387.30 g/mol. Its IUPAC name is (5E)-5-[(2,4-dihydroxyphenyl)methylidene]-1-ethyl-3-phenyl-2-selanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-[(2,4-dihydroxyphenyl)methylidene]-1-ethyl-3-phenyl-2-selanylideneimidazolidin-4-one
PubChem CID168679505
Molecular FormulaC18H16N2O3Se
Molecular Weight387.30 g/mol
Exact Mass388.03
IUPAC Name(5E)-5-[(2,4-dihydroxyphenyl)methylidene]-1-ethyl-3-phenyl-2-selanylideneimidazolidin-4-one
SMILESCCN1C(=[Se])N(c2ccccc2)C(=O)/C1=C\c1ccc(O)cc1O
InChIInChI=1S/C18H16N2O3Se/c1-2-19-15(10-12-8-9-14(21)11-16(12)22)17(23)20(18(19)24)13-6-4-3-5-7-13/h3-11,21-22H,2H2,1H3/b15-10+
InChIKeyCTDUXIFPABUNBK-XNTDXEJSSA-N
XLogP2.06
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.30
LogP ≤ 52.06
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 (5E)-5-[(2,4-dihydroxyphenyl)methylidene]-1-ethyl-3-phenyl-2-selanylideneimidazolidin-4-one?
The IUPAC name of (5E)-5-[(2,4-dihydroxyphenyl)methylidene]-1-ethyl-3-phenyl-2-selanylideneimidazolidin-4-one (CID 168679505) is (5E)-5-[(2,4-dihydroxyphenyl)methylidene]-1-ethyl-3-phenyl-2-selanylideneimidazolidin-4-one.
What is the SMILES notation for (5E)-5-[(2,4-dihydroxyphenyl)methylidene]-1-ethyl-3-phenyl-2-selanylideneimidazolidin-4-one?
The canonical SMILES for (5E)-5-[(2,4-dihydroxyphenyl)methylidene]-1-ethyl-3-phenyl-2-selanylideneimidazolidin-4-one is CCN1C(=[Se])N(c2ccccc2)C(=O)/C1=C\c1ccc(O)cc1O.
What is the InChIKey of (5E)-5-[(2,4-dihydroxyphenyl)methylidene]-1-ethyl-3-phenyl-2-selanylideneimidazolidin-4-one?
The InChIKey is CTDUXIFPABUNBK-XNTDXEJSSA-N. The full InChI is InChI=1S/C18H16N2O3Se/c1-2-19-15(10-12-8-9-14(21)11-16(12)22)17(23)20(18(19)24)13-6-4-3-5-7-13/h3-11,21-22H,2H2,1H3/b15-10+.
What are the key properties of (5E)-5-[(2,4-dihydroxyphenyl)methylidene]-1-ethyl-3-phenyl-2-selanylideneimidazolidin-4-one?
(5E)-5-[(2,4-dihydroxyphenyl)methylidene]-1-ethyl-3-phenyl-2-selanylideneimidazolidin-4-one has a molecular weight of 387.30 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(2,4-dihydroxyphenyl)methylidene]-1-ethyl-3-phenyl-2-selanylideneimidazolidin-4-one is sourced from PubChem (CID 168679505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).