4-[[4-(2,4-dichlorophenyl)-2-[2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]benzaldehyde

C32H21Cl2F3N2O — CID 91300988

IUPAC4-[[4-(2,4-dichlorophenyl)-2-[2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]benzaldehyde
SMILESO=Cc1ccc(Cn2cc(-c3ccc(Cl)cc3Cl)nc2C=Cc2ccc(-c3cccc(C(F)(F)F)c3)cc2)cc1
InChIInChI=1S/C32H21Cl2F3N2O/c33-27-13-14-28(29(34)17-27)30-19-39(18-22-4-6-23(20-40)7-5-22)31(38-30)15-10-21-8-11-24(12-9-21)25-2-1-3-26(16-25)32(35,36)37/h1-17,19-20H,18H2
InChIKeyVAAXHQVANJSJST-UHFFFAOYSA-N
MW577.43 g/mol
LogP9.57
Rot. Bonds7

About 4-[[4-(2,4-dichlorophenyl)-2-[2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]benzaldehyde

4-[[4-(2,4-dichlorophenyl)-2-[2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]benzaldehyde (PubChem CID 91300988) has the molecular formula C32H21Cl2F3N2O and a molecular weight of 577.43 g/mol. Its IUPAC name is 4-[[4-(2,4-dichlorophenyl)-2-[2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]benzaldehyde.

Molecular Properties

Compound Name4-[[4-(2,4-dichlorophenyl)-2-[2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]benzaldehyde
PubChem CID91300988
Molecular FormulaC32H21Cl2F3N2O
Molecular Weight577.43 g/mol
Exact Mass576.10
IUPAC Name4-[[4-(2,4-dichlorophenyl)-2-[2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]benzaldehyde
SMILESO=Cc1ccc(Cn2cc(-c3ccc(Cl)cc3Cl)nc2C=Cc2ccc(-c3cccc(C(F)(F)F)c3)cc2)cc1
InChIInChI=1S/C32H21Cl2F3N2O/c33-27-13-14-28(29(34)17-27)30-19-39(18-22-4-6-23(20-40)7-5-22)31(38-30)15-10-21-8-11-24(12-9-21)25-2-1-3-26(16-25)32(35,36)37/h1-17,19-20H,18H2
InChIKeyVAAXHQVANJSJST-UHFFFAOYSA-N
XLogP9.57
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.43
LogP ≤ 59.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[[4-(2,4-dichlorophenyl)-2-[2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]benzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-Chlorophenyl)-1-[2-(4-cyclohexylphenyl)-2-oxoethyl]-1,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-4-ium
CID 1986965
[2-chloro-3-(trifluoromethyl)phenyl]-(3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone
CID 49785014
(2,4-dichlorophenyl)-(3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone
CID 49785015
[2-chloro-3-(trifluoromethyl)phenyl]-(2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone
CID 49785116
[2-chloro-3-(trifluoromethyl)phenyl]-[3-[2-chloro-3-(trifluoromethyl)phenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 49785282
[3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-[2-chloro-3-(trifluoromethyl)phenyl]methanone
CID 49785284
7-{[2-Chloro-3-(trifluoromethyl)phenyl]carbonyl}-3-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
CID 49785368
4-[5-(4-Chlorophenyl)-1-methylimidazol-2-yl]benzamide
CID 127029806
4-[4-[[4-(2,4-dichlorophenyl)-2-[(E)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 11411336
3-[1-Methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]benzaldehyde
CID 20595846
[2-chloro-3-(trifluoromethyl)phenyl]-(3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone;hydrochloride
CID 49785013
[2-chloro-3-(trifluoromethyl)phenyl]-(2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone;hydrochloride
CID 49785115

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2,4-dichlorophenyl)-2-[2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]benzaldehyde?
The IUPAC name of 4-[[4-(2,4-dichlorophenyl)-2-[2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]benzaldehyde (CID 91300988) is 4-[[4-(2,4-dichlorophenyl)-2-[2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]benzaldehyde.
What is the SMILES notation for 4-[[4-(2,4-dichlorophenyl)-2-[2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]benzaldehyde?
The canonical SMILES for 4-[[4-(2,4-dichlorophenyl)-2-[2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]benzaldehyde is O=Cc1ccc(Cn2cc(-c3ccc(Cl)cc3Cl)nc2C=Cc2ccc(-c3cccc(C(F)(F)F)c3)cc2)cc1.
What is the InChIKey of 4-[[4-(2,4-dichlorophenyl)-2-[2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]benzaldehyde?
The InChIKey is VAAXHQVANJSJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21Cl2F3N2O/c33-27-13-14-28(29(34)17-27)30-19-39(18-22-4-6-23(20-40)7-5-22)31(38-30)15-10-21-8-11-24(12-9-21)25-2-1-3-26(16-25)32(35,36)37/h1-17,19-20H,18H2.
What are the key properties of 4-[[4-(2,4-dichlorophenyl)-2-[2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]benzaldehyde?
4-[[4-(2,4-dichlorophenyl)-2-[2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]benzaldehyde has a molecular weight of 577.43 g/mol, XLogP of 9.57, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2,4-dichlorophenyl)-2-[2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]benzaldehyde is sourced from PubChem (CID 91300988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).