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

C17H14N2O3Se — CID 168858675

IUPAC5-[(2,3-dihydroxyphenyl)methylidene]-1-methyl-3-phenyl-2-selanylideneimidazolidin-4-one
SMILESCN1C(=[Se])N(c2ccccc2)C(=O)C1=Cc1cccc(O)c1O
InChIInChI=1S/C17H14N2O3Se/c1-18-13(10-11-6-5-9-14(20)15(11)21)16(22)19(17(18)23)12-7-3-2-4-8-12/h2-10,20-21H,1H3
InChIKeyGLKNKJMFQHNJBD-UHFFFAOYSA-N
MW373.27 g/mol
LogP1.67
Rot. Bonds2

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

5-[(2,3-dihydroxyphenyl)methylidene]-1-methyl-3-phenyl-2-selanylideneimidazolidin-4-one (PubChem CID 168858675) has the molecular formula C17H14N2O3Se and a molecular weight of 373.27 g/mol. Its IUPAC name is 5-[(2,3-dihydroxyphenyl)methylidene]-1-methyl-3-phenyl-2-selanylideneimidazolidin-4-one.

Molecular Properties

Compound Name5-[(2,3-dihydroxyphenyl)methylidene]-1-methyl-3-phenyl-2-selanylideneimidazolidin-4-one
PubChem CID168858675
Molecular FormulaC17H14N2O3Se
Molecular Weight373.27 g/mol
Exact Mass374.02
IUPAC Name5-[(2,3-dihydroxyphenyl)methylidene]-1-methyl-3-phenyl-2-selanylideneimidazolidin-4-one
SMILESCN1C(=[Se])N(c2ccccc2)C(=O)C1=Cc1cccc(O)c1O
InChIInChI=1S/C17H14N2O3Se/c1-18-13(10-11-6-5-9-14(20)15(11)21)16(22)19(17(18)23)12-7-3-2-4-8-12/h2-10,20-21H,1H3
InChIKeyGLKNKJMFQHNJBD-UHFFFAOYSA-N
XLogP1.67
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.27
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'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-[(2,3-dihydroxyphenyl)methylidene]-1-methyl-3-phenyl-2-selanylideneimidazolidin-4-one?
The IUPAC name of 5-[(2,3-dihydroxyphenyl)methylidene]-1-methyl-3-phenyl-2-selanylideneimidazolidin-4-one (CID 168858675) is 5-[(2,3-dihydroxyphenyl)methylidene]-1-methyl-3-phenyl-2-selanylideneimidazolidin-4-one.
What is the SMILES notation for 5-[(2,3-dihydroxyphenyl)methylidene]-1-methyl-3-phenyl-2-selanylideneimidazolidin-4-one?
The canonical SMILES for 5-[(2,3-dihydroxyphenyl)methylidene]-1-methyl-3-phenyl-2-selanylideneimidazolidin-4-one is CN1C(=[Se])N(c2ccccc2)C(=O)C1=Cc1cccc(O)c1O.
What is the InChIKey of 5-[(2,3-dihydroxyphenyl)methylidene]-1-methyl-3-phenyl-2-selanylideneimidazolidin-4-one?
The InChIKey is GLKNKJMFQHNJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3Se/c1-18-13(10-11-6-5-9-14(20)15(11)21)16(22)19(17(18)23)12-7-3-2-4-8-12/h2-10,20-21H,1H3.
What are the key properties of 5-[(2,3-dihydroxyphenyl)methylidene]-1-methyl-3-phenyl-2-selanylideneimidazolidin-4-one?
5-[(2,3-dihydroxyphenyl)methylidene]-1-methyl-3-phenyl-2-selanylideneimidazolidin-4-one has a molecular weight of 373.27 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3-dihydroxyphenyl)methylidene]-1-methyl-3-phenyl-2-selanylideneimidazolidin-4-one is sourced from PubChem (CID 168858675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).