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

C23H20Cl2FN3O2S — CID 2097181

IUPACN-cyclopentyl-2-[(4Z)-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-UNOMPAQXSA-N
MW492.40 g/mol
LogP5.67
Rot. Bonds5

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

N-cyclopentyl-2-[(4Z)-4-[(3,4-dichlorophenyl)methylidene]-1-(2-fluorophenyl)-5-oxoimidazol-2-yl]sulfanylacetamide (PubChem CID 2097181) has the molecular formula C23H20Cl2FN3O2S and a molecular weight of 492.40 g/mol. Its IUPAC name is N-cyclopentyl-2-[(4Z)-4-[(3,4-dichlorophenyl)methylidene]-1-(2-fluorophenyl)-5-oxoimidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[(4Z)-4-[(3,4-dichlorophenyl)methylidene]-1-(2-fluorophenyl)-5-oxoimidazol-2-yl]sulfanylacetamide
PubChem CID2097181
Molecular FormulaC23H20Cl2FN3O2S
Molecular Weight492.40 g/mol
Exact Mass491.06
IUPAC NameN-cyclopentyl-2-[(4Z)-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-UNOMPAQXSA-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'}

Analyze N-cyclopentyl-2-[(4Z)-4-[(3,4-dichlorophenyl)methylidene]-1-(2-fluorophenyl)-5-oxoimidazol-2-yl]sulfanylacetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[(4Z)-4-[(3,4-dichlorophenyl)methylidene]-1-(2-fluorophenyl)-5-oxoimidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-cyclopentyl-2-[(4Z)-4-[(3,4-dichlorophenyl)methylidene]-1-(2-fluorophenyl)-5-oxoimidazol-2-yl]sulfanylacetamide (CID 2097181) is N-cyclopentyl-2-[(4Z)-4-[(3,4-dichlorophenyl)methylidene]-1-(2-fluorophenyl)-5-oxoimidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-cyclopentyl-2-[(4Z)-4-[(3,4-dichlorophenyl)methylidene]-1-(2-fluorophenyl)-5-oxoimidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-cyclopentyl-2-[(4Z)-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-[(4Z)-4-[(3,4-dichlorophenyl)methylidene]-1-(2-fluorophenyl)-5-oxoimidazol-2-yl]sulfanylacetamide?
The InChIKey is XNUUUVSLQRLBAC-UNOMPAQXSA-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-[(4Z)-4-[(3,4-dichlorophenyl)methylidene]-1-(2-fluorophenyl)-5-oxoimidazol-2-yl]sulfanylacetamide?
N-cyclopentyl-2-[(4Z)-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-[(4Z)-4-[(3,4-dichlorophenyl)methylidene]-1-(2-fluorophenyl)-5-oxoimidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 2097181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).