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

C17H22N2O3Se — CID 168679490

IUPAC(5E)-5-[(2,4-dihydroxyphenyl)methylidene]-3-hexyl-1-methyl-2-selanylideneimidazolidin-4-one
SMILESCCCCCCN1C(=O)/C(=C\c2ccc(O)cc2O)N(C)C1=[Se]
InChIInChI=1S/C17H22N2O3Se/c1-3-4-5-6-9-19-16(22)14(18(2)17(19)23)10-12-7-8-13(20)11-15(12)21/h7-8,10-11,20-21H,3-6,9H2,1-2H3/b14-10+
InChIKeyXHWXBFQCHRPJEI-GXDHUFHOSA-N
MW381.33 g/mol
LogP2.05
Rot. Bonds6

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

(5E)-5-[(2,4-dihydroxyphenyl)methylidene]-3-hexyl-1-methyl-2-selanylideneimidazolidin-4-one (PubChem CID 168679490) has the molecular formula C17H22N2O3Se and a molecular weight of 381.33 g/mol. Its IUPAC name is (5E)-5-[(2,4-dihydroxyphenyl)methylidene]-3-hexyl-1-methyl-2-selanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-[(2,4-dihydroxyphenyl)methylidene]-3-hexyl-1-methyl-2-selanylideneimidazolidin-4-one
PubChem CID168679490
Molecular FormulaC17H22N2O3Se
Molecular Weight381.33 g/mol
Exact Mass382.08
IUPAC Name(5E)-5-[(2,4-dihydroxyphenyl)methylidene]-3-hexyl-1-methyl-2-selanylideneimidazolidin-4-one
SMILESCCCCCCN1C(=O)/C(=C\c2ccc(O)cc2O)N(C)C1=[Se]
InChIInChI=1S/C17H22N2O3Se/c1-3-4-5-6-9-19-16(22)14(18(2)17(19)23)10-12-7-8-13(20)11-15(12)21/h7-8,10-11,20-21H,3-6,9H2,1-2H3/b14-10+
InChIKeyXHWXBFQCHRPJEI-GXDHUFHOSA-N
XLogP2.05
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.33
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 (5E)-5-[(2,4-dihydroxyphenyl)methylidene]-3-hexyl-1-methyl-2-selanylideneimidazolidin-4-one?
The IUPAC name of (5E)-5-[(2,4-dihydroxyphenyl)methylidene]-3-hexyl-1-methyl-2-selanylideneimidazolidin-4-one (CID 168679490) is (5E)-5-[(2,4-dihydroxyphenyl)methylidene]-3-hexyl-1-methyl-2-selanylideneimidazolidin-4-one.
What is the SMILES notation for (5E)-5-[(2,4-dihydroxyphenyl)methylidene]-3-hexyl-1-methyl-2-selanylideneimidazolidin-4-one?
The canonical SMILES for (5E)-5-[(2,4-dihydroxyphenyl)methylidene]-3-hexyl-1-methyl-2-selanylideneimidazolidin-4-one is CCCCCCN1C(=O)/C(=C\c2ccc(O)cc2O)N(C)C1=[Se].
What is the InChIKey of (5E)-5-[(2,4-dihydroxyphenyl)methylidene]-3-hexyl-1-methyl-2-selanylideneimidazolidin-4-one?
The InChIKey is XHWXBFQCHRPJEI-GXDHUFHOSA-N. The full InChI is InChI=1S/C17H22N2O3Se/c1-3-4-5-6-9-19-16(22)14(18(2)17(19)23)10-12-7-8-13(20)11-15(12)21/h7-8,10-11,20-21H,3-6,9H2,1-2H3/b14-10+.
What are the key properties of (5E)-5-[(2,4-dihydroxyphenyl)methylidene]-3-hexyl-1-methyl-2-selanylideneimidazolidin-4-one?
(5E)-5-[(2,4-dihydroxyphenyl)methylidene]-3-hexyl-1-methyl-2-selanylideneimidazolidin-4-one has a molecular weight of 381.33 g/mol, XLogP of 2.05, 6 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]-3-hexyl-1-methyl-2-selanylideneimidazolidin-4-one is sourced from PubChem (CID 168679490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).