(5E)-5-[(2,4-dichlorophenyl)methylidene]-3-(3-ethoxypropyl)-2-sulfanylideneimidazolidin-4-one

C15H16Cl2N2O2S — CID 24510307

IUPAC(5E)-5-[(2,4-dichlorophenyl)methylidene]-3-(3-ethoxypropyl)-2-sulfanylideneimidazolidin-4-one
SMILESCCOCCCN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)NC1=S
InChIInChI=1S/C15H16Cl2N2O2S/c1-2-21-7-3-6-19-14(20)13(18-15(19)22)8-10-4-5-11(16)9-12(10)17/h4-5,8-9H,2-3,6-7H2,1H3,(H,18,22)/b13-8+
InChIKeyNLHDKOVILQEAMT-MDWZMJQESA-N
MW359.28 g/mol
LogP3.48
Rot. Bonds6

About (5E)-5-[(2,4-dichlorophenyl)methylidene]-3-(3-ethoxypropyl)-2-sulfanylideneimidazolidin-4-one

(5E)-5-[(2,4-dichlorophenyl)methylidene]-3-(3-ethoxypropyl)-2-sulfanylideneimidazolidin-4-one (PubChem CID 24510307) has the molecular formula C15H16Cl2N2O2S and a molecular weight of 359.28 g/mol. Its IUPAC name is (5E)-5-[(2,4-dichlorophenyl)methylidene]-3-(3-ethoxypropyl)-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-[(2,4-dichlorophenyl)methylidene]-3-(3-ethoxypropyl)-2-sulfanylideneimidazolidin-4-one
PubChem CID24510307
Molecular FormulaC15H16Cl2N2O2S
Molecular Weight359.28 g/mol
Exact Mass358.03
IUPAC Name(5E)-5-[(2,4-dichlorophenyl)methylidene]-3-(3-ethoxypropyl)-2-sulfanylideneimidazolidin-4-one
SMILESCCOCCCN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)NC1=S
InChIInChI=1S/C15H16Cl2N2O2S/c1-2-21-7-3-6-19-14(20)13(18-15(19)22)8-10-4-5-11(16)9-12(10)17/h4-5,8-9H,2-3,6-7H2,1H3,(H,18,22)/b13-8+
InChIKeyNLHDKOVILQEAMT-MDWZMJQESA-N
XLogP3.48
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.28
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-ethyl-2-sulfanylideneimidazolidin-4-one
CID 5408416
(5Z)-3-(3-ethoxypropyl)-5-[(2-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 98630242
(5E)-3-(3-ethoxypropyl)-5-[(4-prop-2-enoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 24510339
(5Z)-5-[(5-chloro-2-hydroxyphenyl)methylidene]-3-ethyl-2-sulfanylideneimidazolidin-4-one
CID 5428348
(5E)-5-[[3-[(2,4-dichlorophenoxy)methyl]-4-methoxyphenyl]methylidene]-3-(3-methoxypropyl)-2-sulfanylideneimidazolidin-4-one
CID 19547212
(5E)-5-[[5-[(2,5-dichlorophenoxy)methyl]furan-2-yl]methylidene]-3-(3-methoxypropyl)-2-sulfanylideneimidazolidin-4-one
CID 19547340
5-[(2,4-diethoxyphenyl)methylidene]-3-propyl-2-sulfanylideneimidazolidin-4-one
CID 3478308
(5Z)-5-[[3,5-dibromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-propyl-2-sulfanylideneimidazolidin-4-one
CID 126085979
(5Z)-3-butyl-5-[(2,4-dichlorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2145727
(5E)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-3-(3-methoxypropyl)-2-sulfanylideneimidazolidin-4-one
CID 19547271
(5E)-3-butyl-5-[(2-methylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 19545490
(5Z)-5-[(5-bromo-3-chloro-2-methoxyphenyl)methylidene]-3-propyl-2-sulfanylideneimidazolidin-4-one
CID 126098890

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(2,4-dichlorophenyl)methylidene]-3-(3-ethoxypropyl)-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5E)-5-[(2,4-dichlorophenyl)methylidene]-3-(3-ethoxypropyl)-2-sulfanylideneimidazolidin-4-one (CID 24510307) is (5E)-5-[(2,4-dichlorophenyl)methylidene]-3-(3-ethoxypropyl)-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5E)-5-[(2,4-dichlorophenyl)methylidene]-3-(3-ethoxypropyl)-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5E)-5-[(2,4-dichlorophenyl)methylidene]-3-(3-ethoxypropyl)-2-sulfanylideneimidazolidin-4-one is CCOCCCN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)NC1=S.
What is the InChIKey of (5E)-5-[(2,4-dichlorophenyl)methylidene]-3-(3-ethoxypropyl)-2-sulfanylideneimidazolidin-4-one?
The InChIKey is NLHDKOVILQEAMT-MDWZMJQESA-N. The full InChI is InChI=1S/C15H16Cl2N2O2S/c1-2-21-7-3-6-19-14(20)13(18-15(19)22)8-10-4-5-11(16)9-12(10)17/h4-5,8-9H,2-3,6-7H2,1H3,(H,18,22)/b13-8+.
What are the key properties of (5E)-5-[(2,4-dichlorophenyl)methylidene]-3-(3-ethoxypropyl)-2-sulfanylideneimidazolidin-4-one?
(5E)-5-[(2,4-dichlorophenyl)methylidene]-3-(3-ethoxypropyl)-2-sulfanylideneimidazolidin-4-one has a molecular weight of 359.28 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(2,4-dichlorophenyl)methylidene]-3-(3-ethoxypropyl)-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 24510307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).