5-(2-chlorophenyl)-2-[(E)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethenyl]-1H-imidazole

C24H16ClF3N2 — CID 67118464

IUPAC5-(2-chlorophenyl)-2-[(E)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethenyl]-1H-imidazole
SMILESFC(F)(F)c1cccc(-c2ccc(/C=C/c3ncc(-c4ccccc4Cl)[nH]3)cc2)c1
InChIInChI=1S/C24H16ClF3N2/c25-21-7-2-1-6-20(21)22-15-29-23(30-22)13-10-16-8-11-17(12-9-16)18-4-3-5-19(14-18)24(26,27)28/h1-15H,(H,29,30)/b13-10+
InChIKeyUJMNAXLCVJYZFM-JLHYYAGUSA-N
MW424.85 g/mol
LogP7.59
Rot. Bonds4

About 5-(2-chlorophenyl)-2-[(E)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethenyl]-1H-imidazole

5-(2-chlorophenyl)-2-[(E)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethenyl]-1H-imidazole (PubChem CID 67118464) has the molecular formula C24H16ClF3N2 and a molecular weight of 424.85 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-2-[(E)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethenyl]-1H-imidazole.

Molecular Properties

Compound Name5-(2-chlorophenyl)-2-[(E)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethenyl]-1H-imidazole
PubChem CID67118464
Molecular FormulaC24H16ClF3N2
Molecular Weight424.85 g/mol
Exact Mass424.10
IUPAC Name5-(2-chlorophenyl)-2-[(E)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethenyl]-1H-imidazole
SMILESFC(F)(F)c1cccc(-c2ccc(/C=C/c3ncc(-c4ccccc4Cl)[nH]3)cc2)c1
InChIInChI=1S/C24H16ClF3N2/c25-21-7-2-1-6-20(21)22-15-29-23(30-22)13-10-16-8-11-17(12-9-16)18-4-3-5-19(14-18)24(26,27)28/h1-15H,(H,29,30)/b13-10+
InChIKeyUJMNAXLCVJYZFM-JLHYYAGUSA-N
XLogP7.59
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.85
LogP ≤ 57.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-2-[(E)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethenyl]-1H-imidazole?
The IUPAC name of 5-(2-chlorophenyl)-2-[(E)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethenyl]-1H-imidazole (CID 67118464) is 5-(2-chlorophenyl)-2-[(E)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethenyl]-1H-imidazole.
What is the SMILES notation for 5-(2-chlorophenyl)-2-[(E)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethenyl]-1H-imidazole?
The canonical SMILES for 5-(2-chlorophenyl)-2-[(E)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethenyl]-1H-imidazole is FC(F)(F)c1cccc(-c2ccc(/C=C/c3ncc(-c4ccccc4Cl)[nH]3)cc2)c1.
What is the InChIKey of 5-(2-chlorophenyl)-2-[(E)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethenyl]-1H-imidazole?
The InChIKey is UJMNAXLCVJYZFM-JLHYYAGUSA-N. The full InChI is InChI=1S/C24H16ClF3N2/c25-21-7-2-1-6-20(21)22-15-29-23(30-22)13-10-16-8-11-17(12-9-16)18-4-3-5-19(14-18)24(26,27)28/h1-15H,(H,29,30)/b13-10+.
What are the key properties of 5-(2-chlorophenyl)-2-[(E)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethenyl]-1H-imidazole?
5-(2-chlorophenyl)-2-[(E)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethenyl]-1H-imidazole has a molecular weight of 424.85 g/mol, XLogP of 7.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-2-[(E)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethenyl]-1H-imidazole is sourced from PubChem (CID 67118464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).