(5Z)-5-[(2-chlorophenyl)methylidene]-2-(2,4-dichlorophenyl)iminoimidazolidin-4-one

C16H10Cl3N3O — CID 135499613

IUPAC(5Z)-5-[(2-chlorophenyl)methylidene]-2-(2,4-dichlorophenyl)iminoimidazolidin-4-one
SMILESO=C1N/C(=N\c2ccc(Cl)cc2Cl)N/C1=C\c1ccccc1Cl
InChIInChI=1S/C16H10Cl3N3O/c17-10-5-6-13(12(19)8-10)20-16-21-14(15(23)22-16)7-9-3-1-2-4-11(9)18/h1-8H,(H2,20,21,22,23)/b14-7-
InChIKeyWARYICIUDNBQRI-AUWJEWJLSA-N
MW366.64 g/mol
LogP4.39
Rot. Bonds2

About (5Z)-5-[(2-chlorophenyl)methylidene]-2-(2,4-dichlorophenyl)iminoimidazolidin-4-one

(5Z)-5-[(2-chlorophenyl)methylidene]-2-(2,4-dichlorophenyl)iminoimidazolidin-4-one (PubChem CID 135499613) has the molecular formula C16H10Cl3N3O and a molecular weight of 366.64 g/mol. Its IUPAC name is (5Z)-5-[(2-chlorophenyl)methylidene]-2-(2,4-dichlorophenyl)iminoimidazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(2-chlorophenyl)methylidene]-2-(2,4-dichlorophenyl)iminoimidazolidin-4-one
PubChem CID135499613
Molecular FormulaC16H10Cl3N3O
Molecular Weight366.64 g/mol
Exact Mass364.99
IUPAC Name(5Z)-5-[(2-chlorophenyl)methylidene]-2-(2,4-dichlorophenyl)iminoimidazolidin-4-one
SMILESO=C1N/C(=N\c2ccc(Cl)cc2Cl)N/C1=C\c1ccccc1Cl
InChIInChI=1S/C16H10Cl3N3O/c17-10-5-6-13(12(19)8-10)20-16-21-14(15(23)22-16)7-9-3-1-2-4-11(9)18/h1-8H,(H2,20,21,22,23)/b14-7-
InChIKeyWARYICIUDNBQRI-AUWJEWJLSA-N
XLogP4.39
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.64
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(2-chlorophenyl)methylidene]-2-(2,4-dichlorophenyl)iminoimidazolidin-4-one?
The IUPAC name of (5Z)-5-[(2-chlorophenyl)methylidene]-2-(2,4-dichlorophenyl)iminoimidazolidin-4-one (CID 135499613) is (5Z)-5-[(2-chlorophenyl)methylidene]-2-(2,4-dichlorophenyl)iminoimidazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(2-chlorophenyl)methylidene]-2-(2,4-dichlorophenyl)iminoimidazolidin-4-one?
The canonical SMILES for (5Z)-5-[(2-chlorophenyl)methylidene]-2-(2,4-dichlorophenyl)iminoimidazolidin-4-one is O=C1N/C(=N\c2ccc(Cl)cc2Cl)N/C1=C\c1ccccc1Cl.
What is the InChIKey of (5Z)-5-[(2-chlorophenyl)methylidene]-2-(2,4-dichlorophenyl)iminoimidazolidin-4-one?
The InChIKey is WARYICIUDNBQRI-AUWJEWJLSA-N. The full InChI is InChI=1S/C16H10Cl3N3O/c17-10-5-6-13(12(19)8-10)20-16-21-14(15(23)22-16)7-9-3-1-2-4-11(9)18/h1-8H,(H2,20,21,22,23)/b14-7-.
What are the key properties of (5Z)-5-[(2-chlorophenyl)methylidene]-2-(2,4-dichlorophenyl)iminoimidazolidin-4-one?
(5Z)-5-[(2-chlorophenyl)methylidene]-2-(2,4-dichlorophenyl)iminoimidazolidin-4-one has a molecular weight of 366.64 g/mol, XLogP of 4.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2-chlorophenyl)methylidene]-2-(2,4-dichlorophenyl)iminoimidazolidin-4-one is sourced from PubChem (CID 135499613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).