3-[2-(4-chlorophenyl)ethyl]-5-[(4-chlorophenyl)methylidene]-2-phenylimidazol-4-one

C24H18Cl2N2O — CID 2732487

IUPAC3-[2-(4-chlorophenyl)ethyl]-5-[(4-chlorophenyl)methylidene]-2-phenylimidazol-4-one
SMILESO=C1C(=Cc2ccc(Cl)cc2)N=C(c2ccccc2)N1CCc1ccc(Cl)cc1
InChIInChI=1S/C24H18Cl2N2O/c25-20-10-6-17(7-11-20)14-15-28-23(19-4-2-1-3-5-19)27-22(24(28)29)16-18-8-12-21(26)13-9-18/h1-13,16H,14-15H2
InChIKeyZLNPEIFTIYNQSM-UHFFFAOYSA-N
MW421.33 g/mol
LogP5.87
Rot. Bonds5

About 3-[2-(4-chlorophenyl)ethyl]-5-[(4-chlorophenyl)methylidene]-2-phenylimidazol-4-one

3-[2-(4-chlorophenyl)ethyl]-5-[(4-chlorophenyl)methylidene]-2-phenylimidazol-4-one (PubChem CID 2732487) has the molecular formula C24H18Cl2N2O and a molecular weight of 421.33 g/mol. Its IUPAC name is 3-[2-(4-chlorophenyl)ethyl]-5-[(4-chlorophenyl)methylidene]-2-phenylimidazol-4-one.

Molecular Properties

Compound Name3-[2-(4-chlorophenyl)ethyl]-5-[(4-chlorophenyl)methylidene]-2-phenylimidazol-4-one
PubChem CID2732487
Molecular FormulaC24H18Cl2N2O
Molecular Weight421.33 g/mol
Exact Mass420.08
IUPAC Name3-[2-(4-chlorophenyl)ethyl]-5-[(4-chlorophenyl)methylidene]-2-phenylimidazol-4-one
SMILESO=C1C(=Cc2ccc(Cl)cc2)N=C(c2ccccc2)N1CCc1ccc(Cl)cc1
InChIInChI=1S/C24H18Cl2N2O/c25-20-10-6-17(7-11-20)14-15-28-23(19-4-2-1-3-5-19)27-22(24(28)29)16-18-8-12-21(26)13-9-18/h1-13,16H,14-15H2
InChIKeyZLNPEIFTIYNQSM-UHFFFAOYSA-N
XLogP5.87
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.33
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 3-[2-(4-chlorophenyl)ethyl]-5-[(4-chlorophenyl)methylidene]-2-phenylimidazol-4-one?
The IUPAC name of 3-[2-(4-chlorophenyl)ethyl]-5-[(4-chlorophenyl)methylidene]-2-phenylimidazol-4-one (CID 2732487) is 3-[2-(4-chlorophenyl)ethyl]-5-[(4-chlorophenyl)methylidene]-2-phenylimidazol-4-one.
What is the SMILES notation for 3-[2-(4-chlorophenyl)ethyl]-5-[(4-chlorophenyl)methylidene]-2-phenylimidazol-4-one?
The canonical SMILES for 3-[2-(4-chlorophenyl)ethyl]-5-[(4-chlorophenyl)methylidene]-2-phenylimidazol-4-one is O=C1C(=Cc2ccc(Cl)cc2)N=C(c2ccccc2)N1CCc1ccc(Cl)cc1.
What is the InChIKey of 3-[2-(4-chlorophenyl)ethyl]-5-[(4-chlorophenyl)methylidene]-2-phenylimidazol-4-one?
The InChIKey is ZLNPEIFTIYNQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2N2O/c25-20-10-6-17(7-11-20)14-15-28-23(19-4-2-1-3-5-19)27-22(24(28)29)16-18-8-12-21(26)13-9-18/h1-13,16H,14-15H2.
What are the key properties of 3-[2-(4-chlorophenyl)ethyl]-5-[(4-chlorophenyl)methylidene]-2-phenylimidazol-4-one?
3-[2-(4-chlorophenyl)ethyl]-5-[(4-chlorophenyl)methylidene]-2-phenylimidazol-4-one has a molecular weight of 421.33 g/mol, XLogP of 5.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chlorophenyl)ethyl]-5-[(4-chlorophenyl)methylidene]-2-phenylimidazol-4-one is sourced from PubChem (CID 2732487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).