1-benzyl-2-(4-methoxyphenyl)-5-phenyl-4-[4-(trifluoromethyl)phenyl]imidazole

C30H23F3N2O — CID 71504550

IUPAC1-benzyl-2-(4-methoxyphenyl)-5-phenyl-4-[4-(trifluoromethyl)phenyl]imidazole
SMILESCOc1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)c(-c3ccccc3)n2Cc2ccccc2)cc1
InChIInChI=1S/C30H23F3N2O/c1-36-26-18-14-24(15-19-26)29-34-27(22-12-16-25(17-13-22)30(31,32)33)28(23-10-6-3-7-11-23)35(29)20-21-8-4-2-5-9-21/h2-19H,20H2,1H3
InChIKeyRATPGNOCHPDUBY-UHFFFAOYSA-N
MW484.52 g/mol
LogP7.96
Rot. Bonds6

About 1-benzyl-2-(4-methoxyphenyl)-5-phenyl-4-[4-(trifluoromethyl)phenyl]imidazole

1-benzyl-2-(4-methoxyphenyl)-5-phenyl-4-[4-(trifluoromethyl)phenyl]imidazole (PubChem CID 71504550) has the molecular formula C30H23F3N2O and a molecular weight of 484.52 g/mol. Its IUPAC name is 1-benzyl-2-(4-methoxyphenyl)-5-phenyl-4-[4-(trifluoromethyl)phenyl]imidazole.

Molecular Properties

Compound Name1-benzyl-2-(4-methoxyphenyl)-5-phenyl-4-[4-(trifluoromethyl)phenyl]imidazole
PubChem CID71504550
Molecular FormulaC30H23F3N2O
Molecular Weight484.52 g/mol
Exact Mass484.18
IUPAC Name1-benzyl-2-(4-methoxyphenyl)-5-phenyl-4-[4-(trifluoromethyl)phenyl]imidazole
SMILESCOc1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)c(-c3ccccc3)n2Cc2ccccc2)cc1
InChIInChI=1S/C30H23F3N2O/c1-36-26-18-14-24(15-19-26)29-34-27(22-12-16-25(17-13-22)30(31,32)33)28(23-10-6-3-7-11-23)35(29)20-21-8-4-2-5-9-21/h2-19H,20H2,1H3
InChIKeyRATPGNOCHPDUBY-UHFFFAOYSA-N
XLogP7.96
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.52
LogP ≤ 57.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-(4-methoxyphenyl)-5-phenyl-4-[4-(trifluoromethyl)phenyl]imidazole?
The IUPAC name of 1-benzyl-2-(4-methoxyphenyl)-5-phenyl-4-[4-(trifluoromethyl)phenyl]imidazole (CID 71504550) is 1-benzyl-2-(4-methoxyphenyl)-5-phenyl-4-[4-(trifluoromethyl)phenyl]imidazole.
What is the SMILES notation for 1-benzyl-2-(4-methoxyphenyl)-5-phenyl-4-[4-(trifluoromethyl)phenyl]imidazole?
The canonical SMILES for 1-benzyl-2-(4-methoxyphenyl)-5-phenyl-4-[4-(trifluoromethyl)phenyl]imidazole is COc1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)c(-c3ccccc3)n2Cc2ccccc2)cc1.
What is the InChIKey of 1-benzyl-2-(4-methoxyphenyl)-5-phenyl-4-[4-(trifluoromethyl)phenyl]imidazole?
The InChIKey is RATPGNOCHPDUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23F3N2O/c1-36-26-18-14-24(15-19-26)29-34-27(22-12-16-25(17-13-22)30(31,32)33)28(23-10-6-3-7-11-23)35(29)20-21-8-4-2-5-9-21/h2-19H,20H2,1H3.
What are the key properties of 1-benzyl-2-(4-methoxyphenyl)-5-phenyl-4-[4-(trifluoromethyl)phenyl]imidazole?
1-benzyl-2-(4-methoxyphenyl)-5-phenyl-4-[4-(trifluoromethyl)phenyl]imidazole has a molecular weight of 484.52 g/mol, XLogP of 7.96, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-(4-methoxyphenyl)-5-phenyl-4-[4-(trifluoromethyl)phenyl]imidazole is sourced from PubChem (CID 71504550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).