(4E)-4-[(2,4-dichlorophenyl)methylidene]-2-phenyl-1H-imidazol-5-one

C16H10Cl2N2O — CID 135448408

IUPAC(4E)-4-[(2,4-dichlorophenyl)methylidene]-2-phenyl-1H-imidazol-5-one
SMILESO=C1NC(c2ccccc2)=N/C1=C/c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H10Cl2N2O/c17-12-7-6-11(13(18)9-12)8-14-16(21)20-15(19-14)10-4-2-1-3-5-10/h1-9H,(H,19,20,21)/b14-8+
InChIKeyPLRFYWYPBLKTDQ-RIYZIHGNSA-N
MW317.18 g/mol
LogP3.91
Rot. Bonds2

About (4E)-4-[(2,4-dichlorophenyl)methylidene]-2-phenyl-1H-imidazol-5-one

(4E)-4-[(2,4-dichlorophenyl)methylidene]-2-phenyl-1H-imidazol-5-one (PubChem CID 135448408) has the molecular formula C16H10Cl2N2O and a molecular weight of 317.18 g/mol. Its IUPAC name is (4E)-4-[(2,4-dichlorophenyl)methylidene]-2-phenyl-1H-imidazol-5-one.

Molecular Properties

Compound Name(4E)-4-[(2,4-dichlorophenyl)methylidene]-2-phenyl-1H-imidazol-5-one
PubChem CID135448408
Molecular FormulaC16H10Cl2N2O
Molecular Weight317.18 g/mol
Exact Mass316.02
IUPAC Name(4E)-4-[(2,4-dichlorophenyl)methylidene]-2-phenyl-1H-imidazol-5-one
SMILESO=C1NC(c2ccccc2)=N/C1=C/c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H10Cl2N2O/c17-12-7-6-11(13(18)9-12)8-14-16(21)20-15(19-14)10-4-2-1-3-5-10/h1-9H,(H,19,20,21)/b14-8+
InChIKeyPLRFYWYPBLKTDQ-RIYZIHGNSA-N
XLogP3.91
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.18
LogP ≤ 53.91
H-Bond Donors ≤ 51
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 (4E)-4-[(2,4-dichlorophenyl)methylidene]-2-phenyl-1H-imidazol-5-one?
The IUPAC name of (4E)-4-[(2,4-dichlorophenyl)methylidene]-2-phenyl-1H-imidazol-5-one (CID 135448408) is (4E)-4-[(2,4-dichlorophenyl)methylidene]-2-phenyl-1H-imidazol-5-one.
What is the SMILES notation for (4E)-4-[(2,4-dichlorophenyl)methylidene]-2-phenyl-1H-imidazol-5-one?
The canonical SMILES for (4E)-4-[(2,4-dichlorophenyl)methylidene]-2-phenyl-1H-imidazol-5-one is O=C1NC(c2ccccc2)=N/C1=C/c1ccc(Cl)cc1Cl.
What is the InChIKey of (4E)-4-[(2,4-dichlorophenyl)methylidene]-2-phenyl-1H-imidazol-5-one?
The InChIKey is PLRFYWYPBLKTDQ-RIYZIHGNSA-N. The full InChI is InChI=1S/C16H10Cl2N2O/c17-12-7-6-11(13(18)9-12)8-14-16(21)20-15(19-14)10-4-2-1-3-5-10/h1-9H,(H,19,20,21)/b14-8+.
What are the key properties of (4E)-4-[(2,4-dichlorophenyl)methylidene]-2-phenyl-1H-imidazol-5-one?
(4E)-4-[(2,4-dichlorophenyl)methylidene]-2-phenyl-1H-imidazol-5-one has a molecular weight of 317.18 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[(2,4-dichlorophenyl)methylidene]-2-phenyl-1H-imidazol-5-one is sourced from PubChem (CID 135448408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).