2-[(4E)-4-benzylidene-1-(4-fluorophenyl)-5-oxoimidazol-2-yl]sulfanyl-N-(5-chloro-2-pyridinyl)acetamide

C23H16ClFN4O2S — CID 16569794

IUPAC2-[(4E)-4-benzylidene-1-(4-fluorophenyl)-5-oxoimidazol-2-yl]sulfanyl-N-(5-chloro-2-pyridinyl)acetamide
SMILESO=C(CSC1=N/C(=C/c2ccccc2)C(=O)N1c1ccc(F)cc1)Nc1ccc(Cl)cn1
InChIInChI=1S/C23H16ClFN4O2S/c24-16-6-11-20(26-13-16)28-21(30)14-32-23-27-19(12-15-4-2-1-3-5-15)22(31)29(23)18-9-7-17(25)8-10-18/h1-13H,14H2,(H,26,28,30)/b19-12+
InChIKeyCJBCXCDRZNBPKJ-XDHOZWIPSA-N
MW466.93 g/mol
LogP4.99
Rot. Bonds5

About 2-[(4E)-4-benzylidene-1-(4-fluorophenyl)-5-oxoimidazol-2-yl]sulfanyl-N-(5-chloro-2-pyridinyl)acetamide

2-[(4E)-4-benzylidene-1-(4-fluorophenyl)-5-oxoimidazol-2-yl]sulfanyl-N-(5-chloro-2-pyridinyl)acetamide (PubChem CID 16569794) has the molecular formula C23H16ClFN4O2S and a molecular weight of 466.93 g/mol. Its IUPAC name is 2-[(4E)-4-benzylidene-1-(4-fluorophenyl)-5-oxoimidazol-2-yl]sulfanyl-N-(5-chloro-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[(4E)-4-benzylidene-1-(4-fluorophenyl)-5-oxoimidazol-2-yl]sulfanyl-N-(5-chloro-2-pyridinyl)acetamide
PubChem CID16569794
Molecular FormulaC23H16ClFN4O2S
Molecular Weight466.93 g/mol
Exact Mass466.07
IUPAC Name2-[(4E)-4-benzylidene-1-(4-fluorophenyl)-5-oxoimidazol-2-yl]sulfanyl-N-(5-chloro-2-pyridinyl)acetamide
SMILESO=C(CSC1=N/C(=C/c2ccccc2)C(=O)N1c1ccc(F)cc1)Nc1ccc(Cl)cn1
InChIInChI=1S/C23H16ClFN4O2S/c24-16-6-11-20(26-13-16)28-21(30)14-32-23-27-19(12-15-4-2-1-3-5-15)22(31)29(23)18-9-7-17(25)8-10-18/h1-13H,14H2,(H,26,28,30)/b19-12+
InChIKeyCJBCXCDRZNBPKJ-XDHOZWIPSA-N
XLogP4.99
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.93
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(4E)-4-benzylidene-1-(4-fluorophenyl)-5-oxoimidazol-2-yl]sulfanyl-N-(5-chloro-2-pyridinyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-chloro-2-pyridinyl)-2-[4-(furan-2-ylmethylidene)-5-oxo-1-phenylimidazol-2-yl]sulfanylacetamide
CID 1290564
2-[4-benzylidene-1-(4-fluorophenyl)-5-oxoimidazol-2-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
CID 4645830
2-[4-benzylidene-1-(4-fluorophenyl)-5-oxoimidazol-2-yl]sulfanyl-N-(3-chloro-4-cyanophenyl)acetamide
CID 5121727
2-[(4Z)-4-benzylidene-1-(4-fluorophenyl)-5-oxoimidazol-2-yl]sulfanyl-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 42367520
2-[4-benzylidene-1-(4-fluorophenyl)-5-oxoimidazol-2-yl]sulfanyl-N-(4-fluoro-2-nitrophenyl)acetamide
CID 3546595
2-[4-benzylidene-1-(4-fluorophenyl)-5-oxoimidazol-2-yl]sulfanyl-N-pentan-2-ylacetamide
CID 5034992
(5E)-5-benzylidene-2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]sulfanyl-3-(4-fluorophenyl)imidazol-4-one
CID 16544038
5-[(4-fluorophenyl)methylidene]-2-phenacylsulfanyl-3-phenylimidazol-4-one
CID 3409383
2-[(4E)-4-benzylidene-1-(4-fluorophenyl)-5-oxoimidazol-2-yl]sulfanyl-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
CID 16544033
2-[4-benzylidene-1-(4-fluorophenyl)-5-oxoimidazol-2-yl]sulfanyl-N-(2-methylcyclohexyl)acetamide
CID 4007053
2-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-1-phenylimidazol-2-yl]sulfanyl-N-(1H-indol-6-yl)acetamide
CID 19058775
N-(3-ethyloxadiazol-3-ium-5-yl)-2-[(4E)-4-[(4-fluorophenyl)methylidene]-5-oxo-1-phenylimidazol-2-yl]sulfanylacetamide
CID 53294917

Frequently Asked Questions

What is the IUPAC name of 2-[(4E)-4-benzylidene-1-(4-fluorophenyl)-5-oxoimidazol-2-yl]sulfanyl-N-(5-chloro-2-pyridinyl)acetamide?
The IUPAC name of 2-[(4E)-4-benzylidene-1-(4-fluorophenyl)-5-oxoimidazol-2-yl]sulfanyl-N-(5-chloro-2-pyridinyl)acetamide (CID 16569794) is 2-[(4E)-4-benzylidene-1-(4-fluorophenyl)-5-oxoimidazol-2-yl]sulfanyl-N-(5-chloro-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[(4E)-4-benzylidene-1-(4-fluorophenyl)-5-oxoimidazol-2-yl]sulfanyl-N-(5-chloro-2-pyridinyl)acetamide?
The canonical SMILES for 2-[(4E)-4-benzylidene-1-(4-fluorophenyl)-5-oxoimidazol-2-yl]sulfanyl-N-(5-chloro-2-pyridinyl)acetamide is O=C(CSC1=N/C(=C/c2ccccc2)C(=O)N1c1ccc(F)cc1)Nc1ccc(Cl)cn1.
What is the InChIKey of 2-[(4E)-4-benzylidene-1-(4-fluorophenyl)-5-oxoimidazol-2-yl]sulfanyl-N-(5-chloro-2-pyridinyl)acetamide?
The InChIKey is CJBCXCDRZNBPKJ-XDHOZWIPSA-N. The full InChI is InChI=1S/C23H16ClFN4O2S/c24-16-6-11-20(26-13-16)28-21(30)14-32-23-27-19(12-15-4-2-1-3-5-15)22(31)29(23)18-9-7-17(25)8-10-18/h1-13H,14H2,(H,26,28,30)/b19-12+.
What are the key properties of 2-[(4E)-4-benzylidene-1-(4-fluorophenyl)-5-oxoimidazol-2-yl]sulfanyl-N-(5-chloro-2-pyridinyl)acetamide?
2-[(4E)-4-benzylidene-1-(4-fluorophenyl)-5-oxoimidazol-2-yl]sulfanyl-N-(5-chloro-2-pyridinyl)acetamide has a molecular weight of 466.93 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4E)-4-benzylidene-1-(4-fluorophenyl)-5-oxoimidazol-2-yl]sulfanyl-N-(5-chloro-2-pyridinyl)acetamide is sourced from PubChem (CID 16569794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).