5-[(4-chlorophenyl)methylidene]-1-methyl-3-(3-morpholin-4-ylpropyl)-2-selanylideneimidazolidin-4-one

C18H22ClN3O2Se — CID 168858795

IUPAC5-[(4-chlorophenyl)methylidene]-1-methyl-3-(3-morpholin-4-ylpropyl)-2-selanylideneimidazolidin-4-one
SMILESCN1C(=[Se])N(CCCN2CCOCC2)C(=O)C1=Cc1ccc(Cl)cc1
InChIInChI=1S/C18H22ClN3O2Se/c1-20-16(13-14-3-5-15(19)6-4-14)17(23)22(18(20)25)8-2-7-21-9-11-24-12-10-21/h3-6,13H,2,7-12H2,1H3
InChIKeyJFNWJRUNJMFWRD-UHFFFAOYSA-N
MW426.81 g/mol
LogP1.43
Rot. Bonds5

About 5-[(4-chlorophenyl)methylidene]-1-methyl-3-(3-morpholin-4-ylpropyl)-2-selanylideneimidazolidin-4-one

5-[(4-chlorophenyl)methylidene]-1-methyl-3-(3-morpholin-4-ylpropyl)-2-selanylideneimidazolidin-4-one (PubChem CID 168858795) has the molecular formula C18H22ClN3O2Se and a molecular weight of 426.81 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methylidene]-1-methyl-3-(3-morpholin-4-ylpropyl)-2-selanylideneimidazolidin-4-one.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methylidene]-1-methyl-3-(3-morpholin-4-ylpropyl)-2-selanylideneimidazolidin-4-one
PubChem CID168858795
Molecular FormulaC18H22ClN3O2Se
Molecular Weight426.81 g/mol
Exact Mass427.06
IUPAC Name5-[(4-chlorophenyl)methylidene]-1-methyl-3-(3-morpholin-4-ylpropyl)-2-selanylideneimidazolidin-4-one
SMILESCN1C(=[Se])N(CCCN2CCOCC2)C(=O)C1=Cc1ccc(Cl)cc1
InChIInChI=1S/C18H22ClN3O2Se/c1-20-16(13-14-3-5-15(19)6-4-14)17(23)22(18(20)25)8-2-7-21-9-11-24-12-10-21/h3-6,13H,2,7-12H2,1H3
InChIKeyJFNWJRUNJMFWRD-UHFFFAOYSA-N
XLogP1.43
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.81
LogP ≤ 51.43
H-Bond Donors ≤ 50
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 5-[(4-chlorophenyl)methylidene]-1-methyl-3-(3-morpholin-4-ylpropyl)-2-selanylideneimidazolidin-4-one?
The IUPAC name of 5-[(4-chlorophenyl)methylidene]-1-methyl-3-(3-morpholin-4-ylpropyl)-2-selanylideneimidazolidin-4-one (CID 168858795) is 5-[(4-chlorophenyl)methylidene]-1-methyl-3-(3-morpholin-4-ylpropyl)-2-selanylideneimidazolidin-4-one.
What is the SMILES notation for 5-[(4-chlorophenyl)methylidene]-1-methyl-3-(3-morpholin-4-ylpropyl)-2-selanylideneimidazolidin-4-one?
The canonical SMILES for 5-[(4-chlorophenyl)methylidene]-1-methyl-3-(3-morpholin-4-ylpropyl)-2-selanylideneimidazolidin-4-one is CN1C(=[Se])N(CCCN2CCOCC2)C(=O)C1=Cc1ccc(Cl)cc1.
What is the InChIKey of 5-[(4-chlorophenyl)methylidene]-1-methyl-3-(3-morpholin-4-ylpropyl)-2-selanylideneimidazolidin-4-one?
The InChIKey is JFNWJRUNJMFWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O2Se/c1-20-16(13-14-3-5-15(19)6-4-14)17(23)22(18(20)25)8-2-7-21-9-11-24-12-10-21/h3-6,13H,2,7-12H2,1H3.
What are the key properties of 5-[(4-chlorophenyl)methylidene]-1-methyl-3-(3-morpholin-4-ylpropyl)-2-selanylideneimidazolidin-4-one?
5-[(4-chlorophenyl)methylidene]-1-methyl-3-(3-morpholin-4-ylpropyl)-2-selanylideneimidazolidin-4-one has a molecular weight of 426.81 g/mol, XLogP of 1.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methylidene]-1-methyl-3-(3-morpholin-4-ylpropyl)-2-selanylideneimidazolidin-4-one is sourced from PubChem (CID 168858795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).