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

C16H19FN2O3Se — CID 168679503

IUPAC(5E)-5-[(2,4-dihydroxyphenyl)methylidene]-3-(5-fluoropentyl)-1-methyl-2-selanylideneimidazolidin-4-one
SMILESCN1C(=[Se])N(CCCCCF)C(=O)/C1=C\c1ccc(O)cc1O
InChIInChI=1S/C16H19FN2O3Se/c1-18-13(9-11-5-6-12(20)10-14(11)21)15(22)19(16(18)23)8-4-2-3-7-17/h5-6,9-10,20-21H,2-4,7-8H2,1H3/b13-9+
InChIKeyPNLHDXRHMFJNIC-UKTHLTGXSA-N
MW385.30 g/mol
LogP1.61
Rot. Bonds6

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

(5E)-5-[(2,4-dihydroxyphenyl)methylidene]-3-(5-fluoropentyl)-1-methyl-2-selanylideneimidazolidin-4-one (PubChem CID 168679503) has the molecular formula C16H19FN2O3Se and a molecular weight of 385.30 g/mol. Its IUPAC name is (5E)-5-[(2,4-dihydroxyphenyl)methylidene]-3-(5-fluoropentyl)-1-methyl-2-selanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-[(2,4-dihydroxyphenyl)methylidene]-3-(5-fluoropentyl)-1-methyl-2-selanylideneimidazolidin-4-one
PubChem CID168679503
Molecular FormulaC16H19FN2O3Se
Molecular Weight385.30 g/mol
Exact Mass386.05
IUPAC Name(5E)-5-[(2,4-dihydroxyphenyl)methylidene]-3-(5-fluoropentyl)-1-methyl-2-selanylideneimidazolidin-4-one
SMILESCN1C(=[Se])N(CCCCCF)C(=O)/C1=C\c1ccc(O)cc1O
InChIInChI=1S/C16H19FN2O3Se/c1-18-13(9-11-5-6-12(20)10-14(11)21)15(22)19(16(18)23)8-4-2-3-7-17/h5-6,9-10,20-21H,2-4,7-8H2,1H3/b13-9+
InChIKeyPNLHDXRHMFJNIC-UKTHLTGXSA-N
XLogP1.61
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.30
LogP ≤ 51.61
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-(5-fluoropentyl)-1-methyl-2-selanylideneimidazolidin-4-one?
The IUPAC name of (5E)-5-[(2,4-dihydroxyphenyl)methylidene]-3-(5-fluoropentyl)-1-methyl-2-selanylideneimidazolidin-4-one (CID 168679503) is (5E)-5-[(2,4-dihydroxyphenyl)methylidene]-3-(5-fluoropentyl)-1-methyl-2-selanylideneimidazolidin-4-one.
What is the SMILES notation for (5E)-5-[(2,4-dihydroxyphenyl)methylidene]-3-(5-fluoropentyl)-1-methyl-2-selanylideneimidazolidin-4-one?
The canonical SMILES for (5E)-5-[(2,4-dihydroxyphenyl)methylidene]-3-(5-fluoropentyl)-1-methyl-2-selanylideneimidazolidin-4-one is CN1C(=[Se])N(CCCCCF)C(=O)/C1=C\c1ccc(O)cc1O.
What is the InChIKey of (5E)-5-[(2,4-dihydroxyphenyl)methylidene]-3-(5-fluoropentyl)-1-methyl-2-selanylideneimidazolidin-4-one?
The InChIKey is PNLHDXRHMFJNIC-UKTHLTGXSA-N. The full InChI is InChI=1S/C16H19FN2O3Se/c1-18-13(9-11-5-6-12(20)10-14(11)21)15(22)19(16(18)23)8-4-2-3-7-17/h5-6,9-10,20-21H,2-4,7-8H2,1H3/b13-9+.
What are the key properties of (5E)-5-[(2,4-dihydroxyphenyl)methylidene]-3-(5-fluoropentyl)-1-methyl-2-selanylideneimidazolidin-4-one?
(5E)-5-[(2,4-dihydroxyphenyl)methylidene]-3-(5-fluoropentyl)-1-methyl-2-selanylideneimidazolidin-4-one has a molecular weight of 385.30 g/mol, XLogP of 1.61, 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-(5-fluoropentyl)-1-methyl-2-selanylideneimidazolidin-4-one is sourced from PubChem (CID 168679503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).