(4Z)-4-[(3-chlorophenyl)methylidene]-2-phenyl-1H-imidazol-5-one

C16H11ClN2O — CID 135479737

IUPAC(4Z)-4-[(3-chlorophenyl)methylidene]-2-phenyl-1H-imidazol-5-one
SMILESO=C1NC(c2ccccc2)=N/C1=C\c1cccc(Cl)c1
InChIInChI=1S/C16H11ClN2O/c17-13-8-4-5-11(9-13)10-14-16(20)19-15(18-14)12-6-2-1-3-7-12/h1-10H,(H,18,19,20)/b14-10-
InChIKeyOTNOLWHOYBWVEG-UVTDQMKNSA-N
MW282.73 g/mol
LogP3.26
Rot. Bonds2

About (4Z)-4-[(3-chlorophenyl)methylidene]-2-phenyl-1H-imidazol-5-one

(4Z)-4-[(3-chlorophenyl)methylidene]-2-phenyl-1H-imidazol-5-one (PubChem CID 135479737) has the molecular formula C16H11ClN2O and a molecular weight of 282.73 g/mol. Its IUPAC name is (4Z)-4-[(3-chlorophenyl)methylidene]-2-phenyl-1H-imidazol-5-one.

Molecular Properties

Compound Name(4Z)-4-[(3-chlorophenyl)methylidene]-2-phenyl-1H-imidazol-5-one
PubChem CID135479737
Molecular FormulaC16H11ClN2O
Molecular Weight282.73 g/mol
Exact Mass282.06
IUPAC Name(4Z)-4-[(3-chlorophenyl)methylidene]-2-phenyl-1H-imidazol-5-one
SMILESO=C1NC(c2ccccc2)=N/C1=C\c1cccc(Cl)c1
InChIInChI=1S/C16H11ClN2O/c17-13-8-4-5-11(9-13)10-14-16(20)19-15(18-14)12-6-2-1-3-7-12/h1-10H,(H,18,19,20)/b14-10-
InChIKeyOTNOLWHOYBWVEG-UVTDQMKNSA-N
XLogP3.26
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 53.26
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 (4Z)-4-[(3-chlorophenyl)methylidene]-2-phenyl-1H-imidazol-5-one?
The IUPAC name of (4Z)-4-[(3-chlorophenyl)methylidene]-2-phenyl-1H-imidazol-5-one (CID 135479737) is (4Z)-4-[(3-chlorophenyl)methylidene]-2-phenyl-1H-imidazol-5-one.
What is the SMILES notation for (4Z)-4-[(3-chlorophenyl)methylidene]-2-phenyl-1H-imidazol-5-one?
The canonical SMILES for (4Z)-4-[(3-chlorophenyl)methylidene]-2-phenyl-1H-imidazol-5-one is O=C1NC(c2ccccc2)=N/C1=C\c1cccc(Cl)c1.
What is the InChIKey of (4Z)-4-[(3-chlorophenyl)methylidene]-2-phenyl-1H-imidazol-5-one?
The InChIKey is OTNOLWHOYBWVEG-UVTDQMKNSA-N. The full InChI is InChI=1S/C16H11ClN2O/c17-13-8-4-5-11(9-13)10-14-16(20)19-15(18-14)12-6-2-1-3-7-12/h1-10H,(H,18,19,20)/b14-10-.
What are the key properties of (4Z)-4-[(3-chlorophenyl)methylidene]-2-phenyl-1H-imidazol-5-one?
(4Z)-4-[(3-chlorophenyl)methylidene]-2-phenyl-1H-imidazol-5-one has a molecular weight of 282.73 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(3-chlorophenyl)methylidene]-2-phenyl-1H-imidazol-5-one is sourced from PubChem (CID 135479737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).