4-[[4-(2-chloro-4-methylphenyl)-2-[(E)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]aniline

C32H25ClF3N3 — CID 143094843

IUPAC4-[[4-(2-chloro-4-methylphenyl)-2-[(E)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]aniline
SMILESCc1ccc(-c2cn(Cc3ccc(N)cc3)c(/C=C/c3ccc(-c4cccc(C(F)(F)F)c4)cc3)n2)c(Cl)c1
InChIInChI=1S/C32H25ClF3N3/c1-21-5-15-28(29(33)17-21)30-20-39(19-23-8-13-27(37)14-9-23)31(38-30)16-10-22-6-11-24(12-7-22)25-3-2-4-26(18-25)32(34,35)36/h2-18,20H,19,37H2,1H3/b16-10+
InChIKeyULTJIVIMAVZYAP-MHWRWJLKSA-N
MW544.02 g/mol
LogP9.00
Rot. Bonds6

About 4-[[4-(2-chloro-4-methylphenyl)-2-[(E)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]aniline

4-[[4-(2-chloro-4-methylphenyl)-2-[(E)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]aniline (PubChem CID 143094843) has the molecular formula C32H25ClF3N3 and a molecular weight of 544.02 g/mol. Its IUPAC name is 4-[[4-(2-chloro-4-methylphenyl)-2-[(E)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]aniline.

Molecular Properties

Compound Name4-[[4-(2-chloro-4-methylphenyl)-2-[(E)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]aniline
PubChem CID143094843
Molecular FormulaC32H25ClF3N3
Molecular Weight544.02 g/mol
Exact Mass543.17
IUPAC Name4-[[4-(2-chloro-4-methylphenyl)-2-[(E)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]aniline
SMILESCc1ccc(-c2cn(Cc3ccc(N)cc3)c(/C=C/c3ccc(-c4cccc(C(F)(F)F)c4)cc3)n2)c(Cl)c1
InChIInChI=1S/C32H25ClF3N3/c1-21-5-15-28(29(33)17-21)30-20-39(19-23-8-13-27(37)14-9-23)31(38-30)16-10-22-6-11-24(12-7-22)25-3-2-4-26(18-25)32(34,35)36/h2-18,20H,19,37H2,1H3/b16-10+
InChIKeyULTJIVIMAVZYAP-MHWRWJLKSA-N
XLogP9.00
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.02
LogP ≤ 59.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[[4-(2-chloro-4-fluorophenyl)-2-[(E)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]benzoic acid
CID 58231139
4-[[4-(2,6-dichlorophenyl)-2-[(E)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]benzoic acid
CID 58231260
4-[[2-[(E)-2-(4-bromophenyl)ethenyl]-4-(2,4-dichlorophenyl)imidazol-1-yl]methyl]aniline
CID 67118194
N-[4-[[4-(2,4-dichlorophenyl)-2-[(E)-2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]phenyl]methanesulfonamide
CID 58231295
4-(2,4-dichlorophenyl)-1-[(4-methylsulfonylphenyl)methyl]-2-[2-[4-(3-methylsulfonylphenyl)phenyl]ethenyl]imidazole
CID 67049428
4-[[4-(2,4-dichlorophenyl)-2-[(E)-2-[4-(3-methylsulfanylphenyl)phenyl]ethenyl]imidazol-1-yl]methyl]benzoic acid
CID 142933599
4-[4-[(E)-2-[4-(2,4-difluorophenyl)-1-[(4-methylphenyl)methyl]imidazol-2-yl]ethenyl]phenyl]phenol
CID 143094936
methyl 3-[4-[2-[4-(2,4-dichlorophenyl)-1-[(4-methoxycarbonylphenyl)methyl]imidazol-2-yl]ethenyl]phenyl]benzoate
CID 67049826
4-[[2-[(E)-2-[4-(4-tert-butylphenyl)phenyl]ethenyl]-4-(2,4-dichlorophenyl)imidazol-1-yl]methyl]benzoic acid
CID 58231191
(2E,4E)-6-[4-(2-chloro-4-methylphenyl)-2-[(E)-2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethenyl]imidazol-1-yl]-2-ethenyl-5-methylhexa-2,4-dienoic acid
CID 143094695
1-benzyl-4-(2,4-dichlorophenyl)-2-[2-[4-(4-methoxyphenyl)phenyl]ethenyl]imidazole
CID 67049290
4-[[2-[2-[4-(3-amino-4-methoxyphenyl)phenyl]ethenyl]-4-(2,4-dichlorophenyl)imidazol-1-yl]methyl]benzoic acid
CID 67118006

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-chloro-4-methylphenyl)-2-[(E)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]aniline?
The IUPAC name of 4-[[4-(2-chloro-4-methylphenyl)-2-[(E)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]aniline (CID 143094843) is 4-[[4-(2-chloro-4-methylphenyl)-2-[(E)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]aniline.
What is the SMILES notation for 4-[[4-(2-chloro-4-methylphenyl)-2-[(E)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]aniline?
The canonical SMILES for 4-[[4-(2-chloro-4-methylphenyl)-2-[(E)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]aniline is Cc1ccc(-c2cn(Cc3ccc(N)cc3)c(/C=C/c3ccc(-c4cccc(C(F)(F)F)c4)cc3)n2)c(Cl)c1.
What is the InChIKey of 4-[[4-(2-chloro-4-methylphenyl)-2-[(E)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]aniline?
The InChIKey is ULTJIVIMAVZYAP-MHWRWJLKSA-N. The full InChI is InChI=1S/C32H25ClF3N3/c1-21-5-15-28(29(33)17-21)30-20-39(19-23-8-13-27(37)14-9-23)31(38-30)16-10-22-6-11-24(12-7-22)25-3-2-4-26(18-25)32(34,35)36/h2-18,20H,19,37H2,1H3/b16-10+.
What are the key properties of 4-[[4-(2-chloro-4-methylphenyl)-2-[(E)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]aniline?
4-[[4-(2-chloro-4-methylphenyl)-2-[(E)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]aniline has a molecular weight of 544.02 g/mol, XLogP of 9.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-chloro-4-methylphenyl)-2-[(E)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]aniline is sourced from PubChem (CID 143094843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).