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

C25H21F3N2O — CID 58510139

IUPAC1-methyl-4-(3-methyl-4-phenylmethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]imidazole
SMILESCc1cc(-c2cn(C)c(-c3ccc(C(F)(F)F)cc3)n2)ccc1OCc1ccccc1
InChIInChI=1S/C25H21F3N2O/c1-17-14-20(10-13-23(17)31-16-18-6-4-3-5-7-18)22-15-30(2)24(29-22)19-8-11-21(12-9-19)25(26,27)28/h3-15H,16H2,1-2H3
InChIKeyOTULBQDSPZTOFD-UHFFFAOYSA-N
MW422.45 g/mol
LogP6.66
Rot. Bonds5

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

1-methyl-4-(3-methyl-4-phenylmethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]imidazole (PubChem CID 58510139) has the molecular formula C25H21F3N2O and a molecular weight of 422.45 g/mol. Its IUPAC name is 1-methyl-4-(3-methyl-4-phenylmethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]imidazole.

Molecular Properties

Compound Name1-methyl-4-(3-methyl-4-phenylmethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]imidazole
PubChem CID58510139
Molecular FormulaC25H21F3N2O
Molecular Weight422.45 g/mol
Exact Mass422.16
IUPAC Name1-methyl-4-(3-methyl-4-phenylmethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]imidazole
SMILESCc1cc(-c2cn(C)c(-c3ccc(C(F)(F)F)cc3)n2)ccc1OCc1ccccc1
InChIInChI=1S/C25H21F3N2O/c1-17-14-20(10-13-23(17)31-16-18-6-4-3-5-7-18)22-15-30(2)24(29-22)19-8-11-21(12-9-19)25(26,27)28/h3-15H,16H2,1-2H3
InChIKeyOTULBQDSPZTOFD-UHFFFAOYSA-N
XLogP6.66
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.45
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(3-methyl-4-phenylmethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]imidazole?
The IUPAC name of 1-methyl-4-(3-methyl-4-phenylmethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]imidazole (CID 58510139) is 1-methyl-4-(3-methyl-4-phenylmethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]imidazole.
What is the SMILES notation for 1-methyl-4-(3-methyl-4-phenylmethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]imidazole?
The canonical SMILES for 1-methyl-4-(3-methyl-4-phenylmethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]imidazole is Cc1cc(-c2cn(C)c(-c3ccc(C(F)(F)F)cc3)n2)ccc1OCc1ccccc1.
What is the InChIKey of 1-methyl-4-(3-methyl-4-phenylmethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]imidazole?
The InChIKey is OTULBQDSPZTOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N2O/c1-17-14-20(10-13-23(17)31-16-18-6-4-3-5-7-18)22-15-30(2)24(29-22)19-8-11-21(12-9-19)25(26,27)28/h3-15H,16H2,1-2H3.
What are the key properties of 1-methyl-4-(3-methyl-4-phenylmethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]imidazole?
1-methyl-4-(3-methyl-4-phenylmethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]imidazole has a molecular weight of 422.45 g/mol, XLogP of 6.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(3-methyl-4-phenylmethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]imidazole is sourced from PubChem (CID 58510139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).