4-(2,4-dichlorophenyl)-1-[[4-[3-(trifluoromethyl)phenyl]phenyl]methyl]imidazole

C23H15Cl2F3N2 — CID 141121301

IUPAC4-(2,4-dichlorophenyl)-1-[[4-[3-(trifluoromethyl)phenyl]phenyl]methyl]imidazole
SMILESFC(F)(F)c1cccc(-c2ccc(Cn3cnc(-c4ccc(Cl)cc4Cl)c3)cc2)c1
InChIInChI=1S/C23H15Cl2F3N2/c24-19-8-9-20(21(25)11-19)22-13-30(14-29-22)12-15-4-6-16(7-5-15)17-2-1-3-18(10-17)23(26,27)28/h1-11,13-14H,12H2
InChIKeyMWJIWFCJAWOCIQ-UHFFFAOYSA-N
MW447.29 g/mol
LogP7.59
Rot. Bonds4

About 4-(2,4-dichlorophenyl)-1-[[4-[3-(trifluoromethyl)phenyl]phenyl]methyl]imidazole

4-(2,4-dichlorophenyl)-1-[[4-[3-(trifluoromethyl)phenyl]phenyl]methyl]imidazole (PubChem CID 141121301) has the molecular formula C23H15Cl2F3N2 and a molecular weight of 447.29 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-1-[[4-[3-(trifluoromethyl)phenyl]phenyl]methyl]imidazole.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-1-[[4-[3-(trifluoromethyl)phenyl]phenyl]methyl]imidazole
PubChem CID141121301
Molecular FormulaC23H15Cl2F3N2
Molecular Weight447.29 g/mol
Exact Mass446.06
IUPAC Name4-(2,4-dichlorophenyl)-1-[[4-[3-(trifluoromethyl)phenyl]phenyl]methyl]imidazole
SMILESFC(F)(F)c1cccc(-c2ccc(Cn3cnc(-c4ccc(Cl)cc4Cl)c3)cc2)c1
InChIInChI=1S/C23H15Cl2F3N2/c24-19-8-9-20(21(25)11-19)22-13-30(14-29-22)12-15-4-6-16(7-5-15)17-2-1-3-18(10-17)23(26,27)28/h1-11,13-14H,12H2
InChIKeyMWJIWFCJAWOCIQ-UHFFFAOYSA-N
XLogP7.59
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.29
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-1-[[4-[3-(trifluoromethyl)phenyl]phenyl]methyl]imidazole?
The IUPAC name of 4-(2,4-dichlorophenyl)-1-[[4-[3-(trifluoromethyl)phenyl]phenyl]methyl]imidazole (CID 141121301) is 4-(2,4-dichlorophenyl)-1-[[4-[3-(trifluoromethyl)phenyl]phenyl]methyl]imidazole.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-1-[[4-[3-(trifluoromethyl)phenyl]phenyl]methyl]imidazole?
The canonical SMILES for 4-(2,4-dichlorophenyl)-1-[[4-[3-(trifluoromethyl)phenyl]phenyl]methyl]imidazole is FC(F)(F)c1cccc(-c2ccc(Cn3cnc(-c4ccc(Cl)cc4Cl)c3)cc2)c1.
What is the InChIKey of 4-(2,4-dichlorophenyl)-1-[[4-[3-(trifluoromethyl)phenyl]phenyl]methyl]imidazole?
The InChIKey is MWJIWFCJAWOCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15Cl2F3N2/c24-19-8-9-20(21(25)11-19)22-13-30(14-29-22)12-15-4-6-16(7-5-15)17-2-1-3-18(10-17)23(26,27)28/h1-11,13-14H,12H2.
What are the key properties of 4-(2,4-dichlorophenyl)-1-[[4-[3-(trifluoromethyl)phenyl]phenyl]methyl]imidazole?
4-(2,4-dichlorophenyl)-1-[[4-[3-(trifluoromethyl)phenyl]phenyl]methyl]imidazole has a molecular weight of 447.29 g/mol, XLogP of 7.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-1-[[4-[3-(trifluoromethyl)phenyl]phenyl]methyl]imidazole is sourced from PubChem (CID 141121301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).