N-cyclopentyl-2-[(4E)-4-[(3,4-dichlorophenyl)methylidene]-1-(2-fluorophenyl)-5-oxoimidazol-2-yl]sulfanylacetamide

C23H20Cl2FN3O2S — CID 2097182

IUPACN-cyclopentyl-2-[(4E)-4-[(3,4-dichlorophenyl)methylidene]-1-(2-fluorophenyl)-5-oxoimidazol-2-yl]sulfanylacetamide
SMILESO=C(CSC1=N/C(=C/c2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1F)NC1CCCC1
InChIInChI=1S/C23H20Cl2FN3O2S/c24-16-10-9-14(11-17(16)25)12-19-22(31)29(20-8-4-3-7-18(20)26)23(28-19)32-13-21(30)27-15-5-1-2-6-15/h3-4,7-12,15H,1-2,5-6,13H2,(H,27,30)/b19-12+
InChIKeyXNUUUVSLQRLBAC-XDHOZWIPSA-N
MW492.40 g/mol
LogP5.67
Rot. Bonds5

About N-cyclopentyl-2-[(4E)-4-[(3,4-dichlorophenyl)methylidene]-1-(2-fluorophenyl)-5-oxoimidazol-2-yl]sulfanylacetamide

N-cyclopentyl-2-[(4E)-4-[(3,4-dichlorophenyl)methylidene]-1-(2-fluorophenyl)-5-oxoimidazol-2-yl]sulfanylacetamide (PubChem CID 2097182) has the molecular formula C23H20Cl2FN3O2S and a molecular weight of 492.40 g/mol. Its IUPAC name is N-cyclopentyl-2-[(4E)-4-[(3,4-dichlorophenyl)methylidene]-1-(2-fluorophenyl)-5-oxoimidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[(4E)-4-[(3,4-dichlorophenyl)methylidene]-1-(2-fluorophenyl)-5-oxoimidazol-2-yl]sulfanylacetamide
PubChem CID2097182
Molecular FormulaC23H20Cl2FN3O2S
Molecular Weight492.40 g/mol
Exact Mass491.06
IUPAC NameN-cyclopentyl-2-[(4E)-4-[(3,4-dichlorophenyl)methylidene]-1-(2-fluorophenyl)-5-oxoimidazol-2-yl]sulfanylacetamide
SMILESO=C(CSC1=N/C(=C/c2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1F)NC1CCCC1
InChIInChI=1S/C23H20Cl2FN3O2S/c24-16-10-9-14(11-17(16)25)12-19-22(31)29(20-8-4-3-7-18(20)26)23(28-19)32-13-21(30)27-15-5-1-2-6-15/h3-4,7-12,15H,1-2,5-6,13H2,(H,27,30)/b19-12+
InChIKeyXNUUUVSLQRLBAC-XDHOZWIPSA-N
XLogP5.67
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.40
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4Z)-4-[(3,4-dichlorophenyl)methylidene]-1-(2-fluorophenyl)-5-oxoimidazol-2-yl]sulfanyl-N-propan-2-ylacetamide
CID 2411944
N-cyclopropyl-2-[(4E)-4-[(3,4-dichlorophenyl)methylidene]-1-(2-fluorophenyl)-5-oxoimidazol-2-yl]sulfanylacetamide
CID 2570175
2-[(4E)-4-[(3,4-dichlorophenyl)methylidene]-1-(2-fluorophenyl)-5-oxoimidazol-2-yl]sulfanyl-N-(2-methoxyethyl)acetamide
CID 2609472
N-(4-chlorophenyl)-2-[(4E)-4-[(3-fluorophenyl)methylidene]-1-methyl-5-oxoimidazol-2-yl]sulfanylacetamide
CID 1820013
2-[(4Z)-4-[(2-fluorophenyl)methylidene]-5-oxo-1-phenylimidazol-2-yl]sulfanyl-N-hexylacetamide
CID 1820072
5-[(3,4-Dichlorophenyl)methylidene]-3-(2-fluorophenyl)-2-(2-morpholin-4-ylethylsulfanyl)imidazol-4-one
CID 72100291
2-[(5Z)-5-(3,4-dichlorobenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2-fluorophenyl)acetamide
CID 2163113
(2,6-difluorophenyl)methyl N'-[2-(3,4-dichloro-N-methylanilino)-2-oxoethyl]-N-(4-fluorophenyl)carbamimidothioate
CID 118576927
N-(4-chlorophenyl)-2-[4-[(3-fluorophenyl)methylidene]-1-methyl-5-oxoimidazol-2-yl]sulfanylacetamide
CID 980480
2-[5-[(3,4-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2-fluorophenyl)acetamide
CID 1337457
N-(4-chlorophenyl)-2-[(4Z)-4-[(3-fluorophenyl)methylidene]-1-methyl-5-oxoimidazol-2-yl]sulfanylacetamide
CID 1820012
2-[(4E)-4-[(2-fluorophenyl)methylidene]-5-oxo-1-phenylimidazol-2-yl]sulfanyl-N-hexylacetamide
CID 1820071

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[(4E)-4-[(3,4-dichlorophenyl)methylidene]-1-(2-fluorophenyl)-5-oxoimidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-cyclopentyl-2-[(4E)-4-[(3,4-dichlorophenyl)methylidene]-1-(2-fluorophenyl)-5-oxoimidazol-2-yl]sulfanylacetamide (CID 2097182) is N-cyclopentyl-2-[(4E)-4-[(3,4-dichlorophenyl)methylidene]-1-(2-fluorophenyl)-5-oxoimidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-cyclopentyl-2-[(4E)-4-[(3,4-dichlorophenyl)methylidene]-1-(2-fluorophenyl)-5-oxoimidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-cyclopentyl-2-[(4E)-4-[(3,4-dichlorophenyl)methylidene]-1-(2-fluorophenyl)-5-oxoimidazol-2-yl]sulfanylacetamide is O=C(CSC1=N/C(=C/c2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1F)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[(4E)-4-[(3,4-dichlorophenyl)methylidene]-1-(2-fluorophenyl)-5-oxoimidazol-2-yl]sulfanylacetamide?
The InChIKey is XNUUUVSLQRLBAC-XDHOZWIPSA-N. The full InChI is InChI=1S/C23H20Cl2FN3O2S/c24-16-10-9-14(11-17(16)25)12-19-22(31)29(20-8-4-3-7-18(20)26)23(28-19)32-13-21(30)27-15-5-1-2-6-15/h3-4,7-12,15H,1-2,5-6,13H2,(H,27,30)/b19-12+.
What are the key properties of N-cyclopentyl-2-[(4E)-4-[(3,4-dichlorophenyl)methylidene]-1-(2-fluorophenyl)-5-oxoimidazol-2-yl]sulfanylacetamide?
N-cyclopentyl-2-[(4E)-4-[(3,4-dichlorophenyl)methylidene]-1-(2-fluorophenyl)-5-oxoimidazol-2-yl]sulfanylacetamide has a molecular weight of 492.40 g/mol, XLogP of 5.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[(4E)-4-[(3,4-dichlorophenyl)methylidene]-1-(2-fluorophenyl)-5-oxoimidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 2097182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).