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

C32H22Cl2F3N3O — CID 58231230

IUPAC4-[[4-(2,4-dichlorophenyl)-2-[(E)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]benzamide
SMILESNC(=O)c1ccc(Cn2cc(-c3ccc(Cl)cc3Cl)nc2/C=C/c2ccc(-c3cccc(C(F)(F)F)c3)cc2)cc1
InChIInChI=1S/C32H22Cl2F3N3O/c33-26-13-14-27(28(34)17-26)29-19-40(18-21-6-11-23(12-7-21)31(38)41)30(39-29)15-8-20-4-9-22(10-5-20)24-2-1-3-25(16-24)32(35,36)37/h1-17,19H,18H2,(H2,38,41)/b15-8+
InChIKeyBRCJGTGDGCBBPH-OVCLIPMQSA-N
MW592.45 g/mol
LogP8.86
Rot. Bonds7

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

4-[[4-(2,4-dichlorophenyl)-2-[(E)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]benzamide (PubChem CID 58231230) has the molecular formula C32H22Cl2F3N3O and a molecular weight of 592.45 g/mol. Its IUPAC name is 4-[[4-(2,4-dichlorophenyl)-2-[(E)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[[4-(2,4-dichlorophenyl)-2-[(E)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]benzamide
PubChem CID58231230
Molecular FormulaC32H22Cl2F3N3O
Molecular Weight592.45 g/mol
Exact Mass591.11
IUPAC Name4-[[4-(2,4-dichlorophenyl)-2-[(E)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]benzamide
SMILESNC(=O)c1ccc(Cn2cc(-c3ccc(Cl)cc3Cl)nc2/C=C/c2ccc(-c3cccc(C(F)(F)F)c3)cc2)cc1
InChIInChI=1S/C32H22Cl2F3N3O/c33-26-13-14-27(28(34)17-26)29-19-40(18-21-6-11-23(12-7-21)31(38)41)30(39-29)15-8-20-4-9-22(10-5-20)24-2-1-3-25(16-24)32(35,36)37/h1-17,19H,18H2,(H2,38,41)/b15-8+
InChIKeyBRCJGTGDGCBBPH-OVCLIPMQSA-N
XLogP8.86
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.45
LogP ≤ 58.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2,4-dichlorophenyl)-2-[(E)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]benzamide?
The IUPAC name of 4-[[4-(2,4-dichlorophenyl)-2-[(E)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]benzamide (CID 58231230) is 4-[[4-(2,4-dichlorophenyl)-2-[(E)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]benzamide.
What is the SMILES notation for 4-[[4-(2,4-dichlorophenyl)-2-[(E)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]benzamide?
The canonical SMILES for 4-[[4-(2,4-dichlorophenyl)-2-[(E)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]benzamide is NC(=O)c1ccc(Cn2cc(-c3ccc(Cl)cc3Cl)nc2/C=C/c2ccc(-c3cccc(C(F)(F)F)c3)cc2)cc1.
What is the InChIKey of 4-[[4-(2,4-dichlorophenyl)-2-[(E)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]benzamide?
The InChIKey is BRCJGTGDGCBBPH-OVCLIPMQSA-N. The full InChI is InChI=1S/C32H22Cl2F3N3O/c33-26-13-14-27(28(34)17-26)29-19-40(18-21-6-11-23(12-7-21)31(38)41)30(39-29)15-8-20-4-9-22(10-5-20)24-2-1-3-25(16-24)32(35,36)37/h1-17,19H,18H2,(H2,38,41)/b15-8+.
What are the key properties of 4-[[4-(2,4-dichlorophenyl)-2-[(E)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]benzamide?
4-[[4-(2,4-dichlorophenyl)-2-[(E)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]benzamide has a molecular weight of 592.45 g/mol, XLogP of 8.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2,4-dichlorophenyl)-2-[(E)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]benzamide is sourced from PubChem (CID 58231230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).