(4E)-4-[(3-chloro-4-methoxyphenyl)methylidene]-2-phenyl-1H-imidazol-5-one

C17H13ClN2O2 — CID 136895149

IUPAC(4E)-4-[(3-chloro-4-methoxyphenyl)methylidene]-2-phenyl-1H-imidazol-5-one
SMILESCOc1ccc(/C=C2/N=C(c3ccccc3)NC2=O)cc1Cl
InChIInChI=1S/C17H13ClN2O2/c1-22-15-8-7-11(9-13(15)18)10-14-17(21)20-16(19-14)12-5-3-2-4-6-12/h2-10H,1H3,(H,19,20,21)/b14-10+
InChIKeyGULLCLXPGXCLAO-GXDHUFHOSA-N
MW312.76 g/mol
LogP3.27
Rot. Bonds3

About (4E)-4-[(3-chloro-4-methoxyphenyl)methylidene]-2-phenyl-1H-imidazol-5-one

(4E)-4-[(3-chloro-4-methoxyphenyl)methylidene]-2-phenyl-1H-imidazol-5-one (PubChem CID 136895149) has the molecular formula C17H13ClN2O2 and a molecular weight of 312.76 g/mol. Its IUPAC name is (4E)-4-[(3-chloro-4-methoxyphenyl)methylidene]-2-phenyl-1H-imidazol-5-one.

Molecular Properties

Compound Name(4E)-4-[(3-chloro-4-methoxyphenyl)methylidene]-2-phenyl-1H-imidazol-5-one
PubChem CID136895149
Molecular FormulaC17H13ClN2O2
Molecular Weight312.76 g/mol
Exact Mass312.07
IUPAC Name(4E)-4-[(3-chloro-4-methoxyphenyl)methylidene]-2-phenyl-1H-imidazol-5-one
SMILESCOc1ccc(/C=C2/N=C(c3ccccc3)NC2=O)cc1Cl
InChIInChI=1S/C17H13ClN2O2/c1-22-15-8-7-11(9-13(15)18)10-14-17(21)20-16(19-14)12-5-3-2-4-6-12/h2-10H,1H3,(H,19,20,21)/b14-10+
InChIKeyGULLCLXPGXCLAO-GXDHUFHOSA-N
XLogP3.27
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4E)-4-[(3-chloro-4-methoxyphenyl)methylidene]-2-(3,5-dimethoxyphenyl)-1H-imidazol-5-one
CID 136895166
(4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2-(3-methoxyphenyl)-1H-imidazol-5-one
CID 136894308
(4E)-4-[(4-methoxy-3-propan-2-ylphenyl)methylidene]-2-pyridin-4-yl-1H-imidazol-5-one
CID 136895732
(4E)-2-(4-fluorophenyl)-4-[(4-methoxy-3-propan-2-ylphenyl)methylidene]-1H-imidazol-5-one
CID 136895739
(4E)-4-[(3-ethyl-4-methoxyphenyl)methylidene]-2-pyridin-4-yl-1H-imidazol-5-one
CID 136895677
(4E)-4-[(3-ethyl-4-methoxyphenyl)methylidene]-2-(4-fluorophenyl)-1H-imidazol-5-one
CID 136895684
(4E)-2-(3,4-dimethoxyphenyl)-4-[(4-methoxy-3-methylphenyl)methylidene]-1H-imidazol-5-one
CID 136895219
(4Z)-4-[(2-methoxy-5-propan-2-ylphenyl)methylidene]-2-phenyl-1H-imidazol-5-one
CID 136895842
methyl 4-[(E)-(5-oxo-2-phenyl-1H-imidazol-4-ylidene)methyl]benzoate
CID 136698334
(4E)-2-(2-chlorophenyl)-4-[(4-methoxyphenyl)methylidene]-1H-imidazol-5-one
CID 135517587
(4E)-4-benzylidene-2-(2-methoxyphenyl)-1H-imidazol-5-one
CID 136893365
(4E)-2-(2,6-dimethoxyphenyl)-4-[(3-methoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136893798

Frequently Asked Questions

What is the IUPAC name of (4E)-4-[(3-chloro-4-methoxyphenyl)methylidene]-2-phenyl-1H-imidazol-5-one?
The IUPAC name of (4E)-4-[(3-chloro-4-methoxyphenyl)methylidene]-2-phenyl-1H-imidazol-5-one (CID 136895149) is (4E)-4-[(3-chloro-4-methoxyphenyl)methylidene]-2-phenyl-1H-imidazol-5-one.
What is the SMILES notation for (4E)-4-[(3-chloro-4-methoxyphenyl)methylidene]-2-phenyl-1H-imidazol-5-one?
The canonical SMILES for (4E)-4-[(3-chloro-4-methoxyphenyl)methylidene]-2-phenyl-1H-imidazol-5-one is COc1ccc(/C=C2/N=C(c3ccccc3)NC2=O)cc1Cl.
What is the InChIKey of (4E)-4-[(3-chloro-4-methoxyphenyl)methylidene]-2-phenyl-1H-imidazol-5-one?
The InChIKey is GULLCLXPGXCLAO-GXDHUFHOSA-N. The full InChI is InChI=1S/C17H13ClN2O2/c1-22-15-8-7-11(9-13(15)18)10-14-17(21)20-16(19-14)12-5-3-2-4-6-12/h2-10H,1H3,(H,19,20,21)/b14-10+.
What are the key properties of (4E)-4-[(3-chloro-4-methoxyphenyl)methylidene]-2-phenyl-1H-imidazol-5-one?
(4E)-4-[(3-chloro-4-methoxyphenyl)methylidene]-2-phenyl-1H-imidazol-5-one has a molecular weight of 312.76 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[(3-chloro-4-methoxyphenyl)methylidene]-2-phenyl-1H-imidazol-5-one is sourced from PubChem (CID 136895149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).