1-[(4-chlorophenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]imidazole

C18H14ClF3N2 — CID 23368308

IUPAC1-[(4-chlorophenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]imidazole
SMILESFC(F)(F)c1ccccc1Cc1cn(Cc2ccc(Cl)cc2)cn1
InChIInChI=1S/C18H14ClF3N2/c19-15-7-5-13(6-8-15)10-24-11-16(23-12-24)9-14-3-1-2-4-17(14)18(20,21)22/h1-8,11-12H,9-10H2
InChIKeyGOPLIVAGDJOSCN-UHFFFAOYSA-N
MW350.77 g/mol
LogP5.19
Rot. Bonds4

About 1-[(4-chlorophenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]imidazole

1-[(4-chlorophenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]imidazole (PubChem CID 23368308) has the molecular formula C18H14ClF3N2 and a molecular weight of 350.77 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]imidazole.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]imidazole
PubChem CID23368308
Molecular FormulaC18H14ClF3N2
Molecular Weight350.77 g/mol
Exact Mass350.08
IUPAC Name1-[(4-chlorophenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]imidazole
SMILESFC(F)(F)c1ccccc1Cc1cn(Cc2ccc(Cl)cc2)cn1
InChIInChI=1S/C18H14ClF3N2/c19-15-7-5-13(6-8-15)10-24-11-16(23-12-24)9-14-3-1-2-4-17(14)18(20,21)22/h1-8,11-12H,9-10H2
InChIKeyGOPLIVAGDJOSCN-UHFFFAOYSA-N
XLogP5.19
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.77
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(4-chlorophenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]imidazole?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]imidazole (CID 23368308) is 1-[(4-chlorophenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]imidazole.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]imidazole?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]imidazole is FC(F)(F)c1ccccc1Cc1cn(Cc2ccc(Cl)cc2)cn1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]imidazole?
The InChIKey is GOPLIVAGDJOSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF3N2/c19-15-7-5-13(6-8-15)10-24-11-16(23-12-24)9-14-3-1-2-4-17(14)18(20,21)22/h1-8,11-12H,9-10H2.
What are the key properties of 1-[(4-chlorophenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]imidazole?
1-[(4-chlorophenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]imidazole has a molecular weight of 350.77 g/mol, XLogP of 5.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]imidazole is sourced from PubChem (CID 23368308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).