N-(4-chlorophenyl)-2-[4-[(3-fluorophenyl)methylidene]-1-methyl-5-oxoimidazol-2-yl]sulfanylacetamide

C19H15ClFN3O2S — CID 980480

IUPACN-(4-chlorophenyl)-2-[4-[(3-fluorophenyl)methylidene]-1-methyl-5-oxoimidazol-2-yl]sulfanylacetamide
SMILESCN1C(=O)C(=Cc2cccc(F)c2)N=C1SCC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H15ClFN3O2S/c1-24-18(26)16(10-12-3-2-4-14(21)9-12)23-19(24)27-11-17(25)22-15-7-5-13(20)6-8-15/h2-10H,11H2,1H3,(H,22,25)
InChIKeyVCZXZQPCHJYYPU-UHFFFAOYSA-N
MW403.87 g/mol
LogP4.02
Rot. Bonds4

About N-(4-chlorophenyl)-2-[4-[(3-fluorophenyl)methylidene]-1-methyl-5-oxoimidazol-2-yl]sulfanylacetamide

N-(4-chlorophenyl)-2-[4-[(3-fluorophenyl)methylidene]-1-methyl-5-oxoimidazol-2-yl]sulfanylacetamide (PubChem CID 980480) has the molecular formula C19H15ClFN3O2S and a molecular weight of 403.87 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[4-[(3-fluorophenyl)methylidene]-1-methyl-5-oxoimidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[4-[(3-fluorophenyl)methylidene]-1-methyl-5-oxoimidazol-2-yl]sulfanylacetamide
PubChem CID980480
Molecular FormulaC19H15ClFN3O2S
Molecular Weight403.87 g/mol
Exact Mass403.06
IUPAC NameN-(4-chlorophenyl)-2-[4-[(3-fluorophenyl)methylidene]-1-methyl-5-oxoimidazol-2-yl]sulfanylacetamide
SMILESCN1C(=O)C(=Cc2cccc(F)c2)N=C1SCC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H15ClFN3O2S/c1-24-18(26)16(10-12-3-2-4-14(21)9-12)23-19(24)27-11-17(25)22-15-7-5-13(20)6-8-15/h2-10H,11H2,1H3,(H,22,25)
InChIKeyVCZXZQPCHJYYPU-UHFFFAOYSA-N
XLogP4.02
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.87
LogP ≤ 54.02
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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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[4-[(3-fluorophenyl)methylidene]-1-methyl-5-oxoimidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[4-[(3-fluorophenyl)methylidene]-1-methyl-5-oxoimidazol-2-yl]sulfanylacetamide (CID 980480) is N-(4-chlorophenyl)-2-[4-[(3-fluorophenyl)methylidene]-1-methyl-5-oxoimidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[4-[(3-fluorophenyl)methylidene]-1-methyl-5-oxoimidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[4-[(3-fluorophenyl)methylidene]-1-methyl-5-oxoimidazol-2-yl]sulfanylacetamide is CN1C(=O)C(=Cc2cccc(F)c2)N=C1SCC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[4-[(3-fluorophenyl)methylidene]-1-methyl-5-oxoimidazol-2-yl]sulfanylacetamide?
The InChIKey is VCZXZQPCHJYYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3O2S/c1-24-18(26)16(10-12-3-2-4-14(21)9-12)23-19(24)27-11-17(25)22-15-7-5-13(20)6-8-15/h2-10H,11H2,1H3,(H,22,25).
What are the key properties of N-(4-chlorophenyl)-2-[4-[(3-fluorophenyl)methylidene]-1-methyl-5-oxoimidazol-2-yl]sulfanylacetamide?
N-(4-chlorophenyl)-2-[4-[(3-fluorophenyl)methylidene]-1-methyl-5-oxoimidazol-2-yl]sulfanylacetamide has a molecular weight of 403.87 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[4-[(3-fluorophenyl)methylidene]-1-methyl-5-oxoimidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 980480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).