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

C19H17ClN2OSe — CID 168858746

IUPAC5-[(4-chlorophenyl)methylidene]-1-methyl-3-(2-phenylethyl)-2-selanylideneimidazolidin-4-one
SMILESCN1C(=[Se])N(CCc2ccccc2)C(=O)C1=Cc1ccc(Cl)cc1
InChIInChI=1S/C19H17ClN2OSe/c1-21-17(13-15-7-9-16(20)10-8-15)18(23)22(19(21)24)12-11-14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3
InChIKeyQOMWISOSBSJSSI-UHFFFAOYSA-N
MW403.77 g/mol
LogP2.95
Rot. Bonds4

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

5-[(4-chlorophenyl)methylidene]-1-methyl-3-(2-phenylethyl)-2-selanylideneimidazolidin-4-one (PubChem CID 168858746) has the molecular formula C19H17ClN2OSe and a molecular weight of 403.77 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methylidene]-1-methyl-3-(2-phenylethyl)-2-selanylideneimidazolidin-4-one.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methylidene]-1-methyl-3-(2-phenylethyl)-2-selanylideneimidazolidin-4-one
PubChem CID168858746
Molecular FormulaC19H17ClN2OSe
Molecular Weight403.77 g/mol
Exact Mass404.02
IUPAC Name5-[(4-chlorophenyl)methylidene]-1-methyl-3-(2-phenylethyl)-2-selanylideneimidazolidin-4-one
SMILESCN1C(=[Se])N(CCc2ccccc2)C(=O)C1=Cc1ccc(Cl)cc1
InChIInChI=1S/C19H17ClN2OSe/c1-21-17(13-15-7-9-16(20)10-8-15)18(23)22(19(21)24)12-11-14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3
InChIKeyQOMWISOSBSJSSI-UHFFFAOYSA-N
XLogP2.95
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.77
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

(5E)-1-methyl-3-(2-phenylethyl)-5-[(4-piperidin-1-ylphenyl)methylidene]-2-selanylideneimidazolidin-4-one
CID 169047305
(5E)-5-[(2,3-dihydroxyphenyl)methylidene]-1-methyl-3-(2-phenylethyl)-2-selanylideneimidazolidin-4-one
CID 169047335
5-[(4-chlorophenyl)methylidene]-1-methyl-3-(3-morpholin-4-ylpropyl)-2-selanylideneimidazolidin-4-one
CID 168858795
5-[(4-chlorophenyl)methylidene]-1-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one
CID 898928
(5Z)-3-benzyl-5-[(4-fluorophenyl)methylidene]-1-methyl-2-sulfanylideneimidazolidin-4-one
CID 11278827
(5Z)-3-[(4-chlorophenyl)methyl]-5-[(4-fluorophenyl)methylidene]-1-methyl-2-sulfanylideneimidazolidin-4-one
CID 11152628
(5Z)-3-(2-phenylethyl)-5-[(4-propan-2-ylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2131921
4-[2-[(3Z)-3-benzylidene-5-(4-chlorophenyl)-2-oxopyrrol-1-yl]ethyl]benzenesulfonamide
CID 164946349
(3E,5E)-1-benzyl-3,5-bis[(4-chlorophenyl)methylidene]piperidin-4-one
CID 6265878
5-benzylidene-1,3-dimethylimidazolidine-2,4-dione
CID 71360236
(3E)-3-[(4-methoxyphenyl)methylidene]-5-phenyl-1-(2-phenylethyl)pyrrol-2-one
CID 155815383
3-(4-chloroanilino)-1-(2-phenylethyl)pyrrole-2,5-dione
CID 16647871

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methylidene]-1-methyl-3-(2-phenylethyl)-2-selanylideneimidazolidin-4-one?
The IUPAC name of 5-[(4-chlorophenyl)methylidene]-1-methyl-3-(2-phenylethyl)-2-selanylideneimidazolidin-4-one (CID 168858746) is 5-[(4-chlorophenyl)methylidene]-1-methyl-3-(2-phenylethyl)-2-selanylideneimidazolidin-4-one.
What is the SMILES notation for 5-[(4-chlorophenyl)methylidene]-1-methyl-3-(2-phenylethyl)-2-selanylideneimidazolidin-4-one?
The canonical SMILES for 5-[(4-chlorophenyl)methylidene]-1-methyl-3-(2-phenylethyl)-2-selanylideneimidazolidin-4-one is CN1C(=[Se])N(CCc2ccccc2)C(=O)C1=Cc1ccc(Cl)cc1.
What is the InChIKey of 5-[(4-chlorophenyl)methylidene]-1-methyl-3-(2-phenylethyl)-2-selanylideneimidazolidin-4-one?
The InChIKey is QOMWISOSBSJSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2OSe/c1-21-17(13-15-7-9-16(20)10-8-15)18(23)22(19(21)24)12-11-14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3.
What are the key properties of 5-[(4-chlorophenyl)methylidene]-1-methyl-3-(2-phenylethyl)-2-selanylideneimidazolidin-4-one?
5-[(4-chlorophenyl)methylidene]-1-methyl-3-(2-phenylethyl)-2-selanylideneimidazolidin-4-one has a molecular weight of 403.77 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methylidene]-1-methyl-3-(2-phenylethyl)-2-selanylideneimidazolidin-4-one is sourced from PubChem (CID 168858746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).