(5Z)-5-benzylidene-2-phenyl-3-[3-(trifluoromethyl)phenyl]imidazol-4-one

C23H15F3N2O — CID 46496778

IUPAC(5Z)-5-benzylidene-2-phenyl-3-[3-(trifluoromethyl)phenyl]imidazol-4-one
SMILESO=C1/C(=C/c2ccccc2)N=C(c2ccccc2)N1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H15F3N2O/c24-23(25,26)18-12-7-13-19(15-18)28-21(17-10-5-2-6-11-17)27-20(22(28)29)14-16-8-3-1-4-9-16/h1-15H/b20-14-
InChIKeyDJULHNADRWMCJJ-ZHZULCJRSA-N
MW392.38 g/mol
LogP5.54
Rot. Bonds3

About (5Z)-5-benzylidene-2-phenyl-3-[3-(trifluoromethyl)phenyl]imidazol-4-one

(5Z)-5-benzylidene-2-phenyl-3-[3-(trifluoromethyl)phenyl]imidazol-4-one (PubChem CID 46496778) has the molecular formula C23H15F3N2O and a molecular weight of 392.38 g/mol. Its IUPAC name is (5Z)-5-benzylidene-2-phenyl-3-[3-(trifluoromethyl)phenyl]imidazol-4-one.

Molecular Properties

Compound Name(5Z)-5-benzylidene-2-phenyl-3-[3-(trifluoromethyl)phenyl]imidazol-4-one
PubChem CID46496778
Molecular FormulaC23H15F3N2O
Molecular Weight392.38 g/mol
Exact Mass392.11
IUPAC Name(5Z)-5-benzylidene-2-phenyl-3-[3-(trifluoromethyl)phenyl]imidazol-4-one
SMILESO=C1/C(=C/c2ccccc2)N=C(c2ccccc2)N1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H15F3N2O/c24-23(25,26)18-12-7-13-19(15-18)28-21(17-10-5-2-6-11-17)27-20(22(28)29)14-16-8-3-1-4-9-16/h1-15H/b20-14-
InChIKeyDJULHNADRWMCJJ-ZHZULCJRSA-N
XLogP5.54
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.38
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

(5Z)-5-benzylidene-2-[(E)-2-phenylethenyl]-3-[3-(trifluoromethyl)phenyl]imidazol-4-one
CID 177431241
(5Z)-5-[(4-hydroxyphenyl)methylidene]-2,3-diphenylimidazol-4-one
CID 102169883
(5Z)-3-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-2-phenylimidazol-4-one
CID 6014630
4-[(4E)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl]benzenesulfonamide
CID 164620800
5-benzylidene-3-(4-fluorophenyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazol-4-one
CID 3921890
5-benzylidene-3-(4-ethoxyphenyl)-2-phenylimidazol-4-one
CID 1003359
6-[(4E)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl]-2-methyl-3H-quinazolin-4-one
CID 135474641
(5Z)-5-[(4-fluorophenyl)methylidene]-3-(3-methoxyphenyl)-2-(4-methoxyphenyl)imidazol-4-one
CID 156601529
5-[(4-hydroxyphenyl)methylidene]-3-[7-[4-[(4-hydroxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-10H-phenothiazin-3-yl]-2-phenylimidazol-4-one
CID 3381044
(5Z)-5-benzylidene-2-phenyl-3-[4-(piperidine-1-carbonyl)phenyl]imidazol-4-one
CID 12791986
(5E)-5-[(3-chlorophenyl)methylidene]-3-(2,6-dimethylphenyl)-2-phenylimidazol-4-one
CID 26476887
4-[4-[(3,4-dimethoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]benzoic acid
CID 3681343

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-benzylidene-2-phenyl-3-[3-(trifluoromethyl)phenyl]imidazol-4-one?
The IUPAC name of (5Z)-5-benzylidene-2-phenyl-3-[3-(trifluoromethyl)phenyl]imidazol-4-one (CID 46496778) is (5Z)-5-benzylidene-2-phenyl-3-[3-(trifluoromethyl)phenyl]imidazol-4-one.
What is the SMILES notation for (5Z)-5-benzylidene-2-phenyl-3-[3-(trifluoromethyl)phenyl]imidazol-4-one?
The canonical SMILES for (5Z)-5-benzylidene-2-phenyl-3-[3-(trifluoromethyl)phenyl]imidazol-4-one is O=C1/C(=C/c2ccccc2)N=C(c2ccccc2)N1c1cccc(C(F)(F)F)c1.
What is the InChIKey of (5Z)-5-benzylidene-2-phenyl-3-[3-(trifluoromethyl)phenyl]imidazol-4-one?
The InChIKey is DJULHNADRWMCJJ-ZHZULCJRSA-N. The full InChI is InChI=1S/C23H15F3N2O/c24-23(25,26)18-12-7-13-19(15-18)28-21(17-10-5-2-6-11-17)27-20(22(28)29)14-16-8-3-1-4-9-16/h1-15H/b20-14-.
What are the key properties of (5Z)-5-benzylidene-2-phenyl-3-[3-(trifluoromethyl)phenyl]imidazol-4-one?
(5Z)-5-benzylidene-2-phenyl-3-[3-(trifluoromethyl)phenyl]imidazol-4-one has a molecular weight of 392.38 g/mol, XLogP of 5.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-benzylidene-2-phenyl-3-[3-(trifluoromethyl)phenyl]imidazol-4-one is sourced from PubChem (CID 46496778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).