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

C23H18N2O3Se — CID 168858792

IUPAC1-benzyl-5-[(3,5-dihydroxyphenyl)methylidene]-3-phenyl-2-selanylideneimidazolidin-4-one
SMILESO=C1C(=Cc2cc(O)cc(O)c2)N(Cc2ccccc2)C(=[Se])N1c1ccccc1
InChIInChI=1S/C23H18N2O3Se/c26-19-11-17(12-20(27)14-19)13-21-22(28)25(18-9-5-2-6-10-18)23(29)24(21)15-16-7-3-1-4-8-16/h1-14,26-27H,15H2
InChIKeyGRHRPWBGFCKLGB-UHFFFAOYSA-N
MW449.37 g/mol
LogP3.24
Rot. Bonds4

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

1-benzyl-5-[(3,5-dihydroxyphenyl)methylidene]-3-phenyl-2-selanylideneimidazolidin-4-one (PubChem CID 168858792) has the molecular formula C23H18N2O3Se and a molecular weight of 449.37 g/mol. Its IUPAC name is 1-benzyl-5-[(3,5-dihydroxyphenyl)methylidene]-3-phenyl-2-selanylideneimidazolidin-4-one.

Molecular Properties

Compound Name1-benzyl-5-[(3,5-dihydroxyphenyl)methylidene]-3-phenyl-2-selanylideneimidazolidin-4-one
PubChem CID168858792
Molecular FormulaC23H18N2O3Se
Molecular Weight449.37 g/mol
Exact Mass450.05
IUPAC Name1-benzyl-5-[(3,5-dihydroxyphenyl)methylidene]-3-phenyl-2-selanylideneimidazolidin-4-one
SMILESO=C1C(=Cc2cc(O)cc(O)c2)N(Cc2ccccc2)C(=[Se])N1c1ccccc1
InChIInChI=1S/C23H18N2O3Se/c26-19-11-17(12-20(27)14-19)13-21-22(28)25(18-9-5-2-6-10-18)23(29)24(21)15-16-7-3-1-4-8-16/h1-14,26-27H,15H2
InChIKeyGRHRPWBGFCKLGB-UHFFFAOYSA-N
XLogP3.24
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.37
LogP ≤ 53.24
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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Related Compounds

1-benzyl-3-(4-chlorophenyl)-5-[(2,3-dihydroxyphenyl)methylidene]-2-selanylideneimidazolidin-4-one
CID 168858670
(5E)-5-[(2,4-dihydroxyphenyl)methylidene]-1-ethyl-3-phenyl-2-selanylideneimidazolidin-4-one
CID 168679505
5-[(3,5-dihydroxyphenyl)methylidene]-3-(4-fluorophenyl)-1-methyl-2-selanylideneimidazolidin-4-one
CID 168858800
5-[(3,5-dihydroxyphenyl)methylidene]-1-[2-[5-[(3,5-dihydroxyphenyl)methylidene]-4,6-dioxo-3-phenyl-2-sulfanylidene-1,3-diazinan-1-yl]phenyl]-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 3869177
(5E)-5-[(2,4-dihydroxyphenyl)methylidene]-1-methyl-3-phenyl-2-selanylideneimidazolidin-4-one
CID 168679458
5-[(2,3-dihydroxyphenyl)methylidene]-1-methyl-3-phenyl-2-selanylideneimidazolidin-4-one
CID 168858675
methyl (2Z)-2-(3-benzyl-2,5-dioxo-1-phenylimidazolidin-4-ylidene)acetate
CID 70627079
5-[(3,5-dichloro-4-phenylmethoxyphenyl)methylidene]-1,3-diphenyl-1,3-diazinane-2,4,6-trione
CID 126055158
3-benzyl-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1351149
(5E)-3-benzyl-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1214175
3-benzyl-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2871396
(5Z)-3-benzyl-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6287572

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-[(3,5-dihydroxyphenyl)methylidene]-3-phenyl-2-selanylideneimidazolidin-4-one?
The IUPAC name of 1-benzyl-5-[(3,5-dihydroxyphenyl)methylidene]-3-phenyl-2-selanylideneimidazolidin-4-one (CID 168858792) is 1-benzyl-5-[(3,5-dihydroxyphenyl)methylidene]-3-phenyl-2-selanylideneimidazolidin-4-one.
What is the SMILES notation for 1-benzyl-5-[(3,5-dihydroxyphenyl)methylidene]-3-phenyl-2-selanylideneimidazolidin-4-one?
The canonical SMILES for 1-benzyl-5-[(3,5-dihydroxyphenyl)methylidene]-3-phenyl-2-selanylideneimidazolidin-4-one is O=C1C(=Cc2cc(O)cc(O)c2)N(Cc2ccccc2)C(=[Se])N1c1ccccc1.
What is the InChIKey of 1-benzyl-5-[(3,5-dihydroxyphenyl)methylidene]-3-phenyl-2-selanylideneimidazolidin-4-one?
The InChIKey is GRHRPWBGFCKLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O3Se/c26-19-11-17(12-20(27)14-19)13-21-22(28)25(18-9-5-2-6-10-18)23(29)24(21)15-16-7-3-1-4-8-16/h1-14,26-27H,15H2.
What are the key properties of 1-benzyl-5-[(3,5-dihydroxyphenyl)methylidene]-3-phenyl-2-selanylideneimidazolidin-4-one?
1-benzyl-5-[(3,5-dihydroxyphenyl)methylidene]-3-phenyl-2-selanylideneimidazolidin-4-one has a molecular weight of 449.37 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-[(3,5-dihydroxyphenyl)methylidene]-3-phenyl-2-selanylideneimidazolidin-4-one is sourced from PubChem (CID 168858792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).