(5Z)-5-[(4-chlorophenyl)methylidene]-2-methylsulfanyl-3-(morpholin-4-ylmethyl)imidazol-4-one

C16H18ClN3O2S — CID 5469482

IUPAC(5Z)-5-[(4-chlorophenyl)methylidene]-2-methylsulfanyl-3-(morpholin-4-ylmethyl)imidazol-4-one
SMILESCSC1=N/C(=C\c2ccc(Cl)cc2)C(=O)N1CN1CCOCC1
InChIInChI=1S/C16H18ClN3O2S/c1-23-16-18-14(10-12-2-4-13(17)5-3-12)15(21)20(16)11-19-6-8-22-9-7-19/h2-5,10H,6-9,11H2,1H3/b14-10-
InChIKeyABLPJJNIYNCJSN-UVTDQMKNSA-N
MW351.86 g/mol
LogP2.53
Rot. Bonds3

About (5Z)-5-[(4-chlorophenyl)methylidene]-2-methylsulfanyl-3-(morpholin-4-ylmethyl)imidazol-4-one

(5Z)-5-[(4-chlorophenyl)methylidene]-2-methylsulfanyl-3-(morpholin-4-ylmethyl)imidazol-4-one (PubChem CID 5469482) has the molecular formula C16H18ClN3O2S and a molecular weight of 351.86 g/mol. Its IUPAC name is (5Z)-5-[(4-chlorophenyl)methylidene]-2-methylsulfanyl-3-(morpholin-4-ylmethyl)imidazol-4-one.

Molecular Properties

Compound Name(5Z)-5-[(4-chlorophenyl)methylidene]-2-methylsulfanyl-3-(morpholin-4-ylmethyl)imidazol-4-one
PubChem CID5469482
Molecular FormulaC16H18ClN3O2S
Molecular Weight351.86 g/mol
Exact Mass351.08
IUPAC Name(5Z)-5-[(4-chlorophenyl)methylidene]-2-methylsulfanyl-3-(morpholin-4-ylmethyl)imidazol-4-one
SMILESCSC1=N/C(=C\c2ccc(Cl)cc2)C(=O)N1CN1CCOCC1
InChIInChI=1S/C16H18ClN3O2S/c1-23-16-18-14(10-12-2-4-13(17)5-3-12)15(21)20(16)11-19-6-8-22-9-7-19/h2-5,10H,6-9,11H2,1H3/b14-10-
InChIKeyABLPJJNIYNCJSN-UVTDQMKNSA-N
XLogP2.53
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-chlorophenyl)methyl]-5-[(4-chlorophenyl)methylidene]-2-methylsulfanylimidazol-4-one
CID 2726724
5-(1,3-benzodioxol-5-ylmethylidene)-2-methylsulfanyl-3-[(4-phenylpiperazin-1-yl)methyl]imidazol-4-one
CID 1474793
(5Z)-5-[(4-chlorophenyl)methylidene]-3-(morpholin-4-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1348910
5-[(4-chlorophenyl)methylidene]-1-methyl-3-(3-morpholin-4-ylpropyl)-2-selanylideneimidazolidin-4-one
CID 168858795
(5E)-5-[(4-fluorophenyl)methylidene]-3-(morpholin-4-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1205513
(5Z)-5-[(4-chlorophenyl)methylidene]-3-[2-[(4E)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]ethyl]-2-phenylimidazol-4-one
CID 6532748
(5Z)-3-(4-ethoxyphenyl)-2-ethylsulfanyl-5-[(4-morpholin-4-ylphenyl)methylidene]imidazol-4-one
CID 46246841
(5Z)-3-(morpholin-4-ylmethyl)-5-[(4-propan-2-ylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1271882
4-((4-Chlorophenyl)methylene)-5-oxo-2-selenoxo-1-imidazolidineacetic acid
CID 6435390
(5Z)-3-[2-(3-chlorophenoxy)ethyl]-2-methylsulfanyl-5-[(4-nitrophenyl)methylidene]imidazol-4-one
CID 6051293
(5E)-5-[(4-chlorophenyl)methylidene]-3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazolidine-2,4-dione
CID 16648576
3-benzyl-2-methylsulfanyl-5-(pyridin-3-ylmethylidene)imidazol-4-one
CID 2726690

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-chlorophenyl)methylidene]-2-methylsulfanyl-3-(morpholin-4-ylmethyl)imidazol-4-one?
The IUPAC name of (5Z)-5-[(4-chlorophenyl)methylidene]-2-methylsulfanyl-3-(morpholin-4-ylmethyl)imidazol-4-one (CID 5469482) is (5Z)-5-[(4-chlorophenyl)methylidene]-2-methylsulfanyl-3-(morpholin-4-ylmethyl)imidazol-4-one.
What is the SMILES notation for (5Z)-5-[(4-chlorophenyl)methylidene]-2-methylsulfanyl-3-(morpholin-4-ylmethyl)imidazol-4-one?
The canonical SMILES for (5Z)-5-[(4-chlorophenyl)methylidene]-2-methylsulfanyl-3-(morpholin-4-ylmethyl)imidazol-4-one is CSC1=N/C(=C\c2ccc(Cl)cc2)C(=O)N1CN1CCOCC1.
What is the InChIKey of (5Z)-5-[(4-chlorophenyl)methylidene]-2-methylsulfanyl-3-(morpholin-4-ylmethyl)imidazol-4-one?
The InChIKey is ABLPJJNIYNCJSN-UVTDQMKNSA-N. The full InChI is InChI=1S/C16H18ClN3O2S/c1-23-16-18-14(10-12-2-4-13(17)5-3-12)15(21)20(16)11-19-6-8-22-9-7-19/h2-5,10H,6-9,11H2,1H3/b14-10-.
What are the key properties of (5Z)-5-[(4-chlorophenyl)methylidene]-2-methylsulfanyl-3-(morpholin-4-ylmethyl)imidazol-4-one?
(5Z)-5-[(4-chlorophenyl)methylidene]-2-methylsulfanyl-3-(morpholin-4-ylmethyl)imidazol-4-one has a molecular weight of 351.86 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-chlorophenyl)methylidene]-2-methylsulfanyl-3-(morpholin-4-ylmethyl)imidazol-4-one is sourced from PubChem (CID 5469482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).