5-[(3-phenoxyphenyl)methylidene]-2-phenyl-3-[3-(trifluoromethyl)phenyl]imidazol-4-one

C29H19F3N2O2 — CID 4643841

IUPAC5-[(3-phenoxyphenyl)methylidene]-2-phenyl-3-[3-(trifluoromethyl)phenyl]imidazol-4-one
SMILESO=C1C(=Cc2cccc(Oc3ccccc3)c2)N=C(c2ccccc2)N1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C29H19F3N2O2/c30-29(31,32)22-12-8-13-23(19-22)34-27(21-10-3-1-4-11-21)33-26(28(34)35)18-20-9-7-16-25(17-20)36-24-14-5-2-6-15-24/h1-19H
InChIKeyDIHMZLMALYGERS-UHFFFAOYSA-N
MW484.48 g/mol
LogP7.33
Rot. Bonds5

About 5-[(3-phenoxyphenyl)methylidene]-2-phenyl-3-[3-(trifluoromethyl)phenyl]imidazol-4-one

5-[(3-phenoxyphenyl)methylidene]-2-phenyl-3-[3-(trifluoromethyl)phenyl]imidazol-4-one (PubChem CID 4643841) has the molecular formula C29H19F3N2O2 and a molecular weight of 484.48 g/mol. Its IUPAC name is 5-[(3-phenoxyphenyl)methylidene]-2-phenyl-3-[3-(trifluoromethyl)phenyl]imidazol-4-one.

Molecular Properties

Compound Name5-[(3-phenoxyphenyl)methylidene]-2-phenyl-3-[3-(trifluoromethyl)phenyl]imidazol-4-one
PubChem CID4643841
Molecular FormulaC29H19F3N2O2
Molecular Weight484.48 g/mol
Exact Mass484.14
IUPAC Name5-[(3-phenoxyphenyl)methylidene]-2-phenyl-3-[3-(trifluoromethyl)phenyl]imidazol-4-one
SMILESO=C1C(=Cc2cccc(Oc3ccccc3)c2)N=C(c2ccccc2)N1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C29H19F3N2O2/c30-29(31,32)22-12-8-13-23(19-22)34-27(21-10-3-1-4-11-21)33-26(28(34)35)18-20-9-7-16-25(17-20)36-24-14-5-2-6-15-24/h1-19H
InChIKeyDIHMZLMALYGERS-UHFFFAOYSA-N
XLogP7.33
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.48
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_G(10)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(4Z)-4-{[4-(Dimethylamino)phenyl]methylidene}-2-(2-fluorophenyl)-1-(4-methoxyphenyl)-4,5-dihydro-1H-imidazol-5-one
CID 6525622
(4Z)-1-(3-Fluorophenyl)-4-[(4-fluorophenyl)methylidene]-2-(4-methoxyphenyl)-4,5-dihydro-1H-imidazol-5-one
CID 46497121
(5Z)-5-[(4-fluorophenyl)methylidene]-3-(3-methoxyphenyl)-2-(4-methoxyphenyl)imidazol-4-one
CID 156601529
(5Z)-5-[(4-ethoxyphenyl)methylidene]-2-(4-methylphenyl)selanyl-3-[4-(trifluoromethyl)phenyl]imidazol-4-one
CID 155758741
(4Z)-1-(3-Fluoro-4-methylphenyl)-2-(3-methoxyphenyl)-4-[(2-methoxyphenyl)methylidene]-4,5-dihydro-1H-imidazol-5-one
CID 45105684
(5Z)-3-(3-fluorophenyl)-2-(3-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]imidazol-4-one
CID 45105693
(5Z)-5-(4-methoxybenzylidene)-2,3-diphenyl-3,5-dihydro-4H-imidazol-4-one
CID 1275100
(5Z)-5-benzylidene-3-(4-methoxyphenyl)-2-phenyl-3,5-dihydro-4H-imidazol-4-one
CID 1894244
(4Z)-2-(3-Methoxyphenyl)-4-[(2-methoxyphenyl)methylidene]-1-(4-methylphenyl)-4,5-dihydro-1H-imidazol-5-one
CID 45105688
(4Z)-2-(3-Methoxyphenyl)-1-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methylidene]-4,5-dihydro-1H-imidazol-5-one
CID 45105711
5-(2-fluorobenzylidene)-2-(4-methoxyphenyl)-3-phenyl-3,5-dihydro-4H-imidazol-4-one
CID 2270420
(4Z)-4-{[4-(Dimethylamino)phenyl]methylidene}-2-(2-fluorophenyl)-1-[4-(pentyloxy)phenyl]-4,5-dihydro-1H-imidazol-5-one
CID 46494993

Frequently Asked Questions

What is the IUPAC name of 5-[(3-phenoxyphenyl)methylidene]-2-phenyl-3-[3-(trifluoromethyl)phenyl]imidazol-4-one?
The IUPAC name of 5-[(3-phenoxyphenyl)methylidene]-2-phenyl-3-[3-(trifluoromethyl)phenyl]imidazol-4-one (CID 4643841) is 5-[(3-phenoxyphenyl)methylidene]-2-phenyl-3-[3-(trifluoromethyl)phenyl]imidazol-4-one.
What is the SMILES notation for 5-[(3-phenoxyphenyl)methylidene]-2-phenyl-3-[3-(trifluoromethyl)phenyl]imidazol-4-one?
The canonical SMILES for 5-[(3-phenoxyphenyl)methylidene]-2-phenyl-3-[3-(trifluoromethyl)phenyl]imidazol-4-one is O=C1C(=Cc2cccc(Oc3ccccc3)c2)N=C(c2ccccc2)N1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-[(3-phenoxyphenyl)methylidene]-2-phenyl-3-[3-(trifluoromethyl)phenyl]imidazol-4-one?
The InChIKey is DIHMZLMALYGERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19F3N2O2/c30-29(31,32)22-12-8-13-23(19-22)34-27(21-10-3-1-4-11-21)33-26(28(34)35)18-20-9-7-16-25(17-20)36-24-14-5-2-6-15-24/h1-19H.
What are the key properties of 5-[(3-phenoxyphenyl)methylidene]-2-phenyl-3-[3-(trifluoromethyl)phenyl]imidazol-4-one?
5-[(3-phenoxyphenyl)methylidene]-2-phenyl-3-[3-(trifluoromethyl)phenyl]imidazol-4-one has a molecular weight of 484.48 g/mol, XLogP of 7.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-phenoxyphenyl)methylidene]-2-phenyl-3-[3-(trifluoromethyl)phenyl]imidazol-4-one is sourced from PubChem (CID 4643841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).