4-(4-chlorophenyl)-5-methyl-2-[4-[[4-(trifluoromethyl)cyclohexyl]methoxy]phenyl]-1H-imidazole

C24H24ClF3N2O — CID 171548879

IUPAC4-(4-chlorophenyl)-5-methyl-2-[4-[[4-(trifluoromethyl)cyclohexyl]methoxy]phenyl]-1H-imidazole
SMILESCc1[nH]c(-c2ccc(OCC3CCC(C(F)(F)F)CC3)cc2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C24H24ClF3N2O/c1-15-22(17-4-10-20(25)11-5-17)30-23(29-15)18-6-12-21(13-7-18)31-14-16-2-8-19(9-3-16)24(26,27)28/h4-7,10-13,16,19H,2-3,8-9,14H2,1H3,(H,29,30)
InChIKeyFLCAWJVIAKTIJN-UHFFFAOYSA-N
MW448.92 g/mol
LogP7.45
Rot. Bonds5

About 4-(4-chlorophenyl)-5-methyl-2-[4-[[4-(trifluoromethyl)cyclohexyl]methoxy]phenyl]-1H-imidazole

4-(4-chlorophenyl)-5-methyl-2-[4-[[4-(trifluoromethyl)cyclohexyl]methoxy]phenyl]-1H-imidazole (PubChem CID 171548879) has the molecular formula C24H24ClF3N2O and a molecular weight of 448.92 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-5-methyl-2-[4-[[4-(trifluoromethyl)cyclohexyl]methoxy]phenyl]-1H-imidazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-5-methyl-2-[4-[[4-(trifluoromethyl)cyclohexyl]methoxy]phenyl]-1H-imidazole
PubChem CID171548879
Molecular FormulaC24H24ClF3N2O
Molecular Weight448.92 g/mol
Exact Mass448.15
IUPAC Name4-(4-chlorophenyl)-5-methyl-2-[4-[[4-(trifluoromethyl)cyclohexyl]methoxy]phenyl]-1H-imidazole
SMILESCc1[nH]c(-c2ccc(OCC3CCC(C(F)(F)F)CC3)cc2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C24H24ClF3N2O/c1-15-22(17-4-10-20(25)11-5-17)30-23(29-15)18-6-12-21(13-7-18)31-14-16-2-8-19(9-3-16)24(26,27)28/h4-7,10-13,16,19H,2-3,8-9,14H2,1H3,(H,29,30)
InChIKeyFLCAWJVIAKTIJN-UHFFFAOYSA-N
XLogP7.45
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.92
LogP ≤ 57.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-5-methyl-2-[4-[[4-(trifluoromethyl)cyclohexyl]methoxy]phenyl]-1H-imidazole?
The IUPAC name of 4-(4-chlorophenyl)-5-methyl-2-[4-[[4-(trifluoromethyl)cyclohexyl]methoxy]phenyl]-1H-imidazole (CID 171548879) is 4-(4-chlorophenyl)-5-methyl-2-[4-[[4-(trifluoromethyl)cyclohexyl]methoxy]phenyl]-1H-imidazole.
What is the SMILES notation for 4-(4-chlorophenyl)-5-methyl-2-[4-[[4-(trifluoromethyl)cyclohexyl]methoxy]phenyl]-1H-imidazole?
The canonical SMILES for 4-(4-chlorophenyl)-5-methyl-2-[4-[[4-(trifluoromethyl)cyclohexyl]methoxy]phenyl]-1H-imidazole is Cc1[nH]c(-c2ccc(OCC3CCC(C(F)(F)F)CC3)cc2)nc1-c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-5-methyl-2-[4-[[4-(trifluoromethyl)cyclohexyl]methoxy]phenyl]-1H-imidazole?
The InChIKey is FLCAWJVIAKTIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClF3N2O/c1-15-22(17-4-10-20(25)11-5-17)30-23(29-15)18-6-12-21(13-7-18)31-14-16-2-8-19(9-3-16)24(26,27)28/h4-7,10-13,16,19H,2-3,8-9,14H2,1H3,(H,29,30).
What are the key properties of 4-(4-chlorophenyl)-5-methyl-2-[4-[[4-(trifluoromethyl)cyclohexyl]methoxy]phenyl]-1H-imidazole?
4-(4-chlorophenyl)-5-methyl-2-[4-[[4-(trifluoromethyl)cyclohexyl]methoxy]phenyl]-1H-imidazole has a molecular weight of 448.92 g/mol, XLogP of 7.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-5-methyl-2-[4-[[4-(trifluoromethyl)cyclohexyl]methoxy]phenyl]-1H-imidazole is sourced from PubChem (CID 171548879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).