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

C23H17F3N2O — CID 11474889

IUPAC2-[2-(4-methoxyphenyl)phenyl]-5-[4-(trifluoromethyl)phenyl]-1H-imidazole
SMILESCOc1ccc(-c2ccccc2-c2ncc(-c3ccc(C(F)(F)F)cc3)[nH]2)cc1
InChIInChI=1S/C23H17F3N2O/c1-29-18-12-8-15(9-13-18)19-4-2-3-5-20(19)22-27-14-21(28-22)16-6-10-17(11-7-16)23(24,25)26/h2-14H,1H3,(H,27,28)
InChIKeyCHDZZPNHDYFIOS-UHFFFAOYSA-N
MW394.40 g/mol
LogP6.44
Rot. Bonds4

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

2-[2-(4-methoxyphenyl)phenyl]-5-[4-(trifluoromethyl)phenyl]-1H-imidazole (PubChem CID 11474889) has the molecular formula C23H17F3N2O and a molecular weight of 394.40 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)phenyl]-5-[4-(trifluoromethyl)phenyl]-1H-imidazole.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)phenyl]-5-[4-(trifluoromethyl)phenyl]-1H-imidazole
PubChem CID11474889
Molecular FormulaC23H17F3N2O
Molecular Weight394.40 g/mol
Exact Mass394.13
IUPAC Name2-[2-(4-methoxyphenyl)phenyl]-5-[4-(trifluoromethyl)phenyl]-1H-imidazole
SMILESCOc1ccc(-c2ccccc2-c2ncc(-c3ccc(C(F)(F)F)cc3)[nH]2)cc1
InChIInChI=1S/C23H17F3N2O/c1-29-18-12-8-15(9-13-18)19-4-2-3-5-20(19)22-27-14-21(28-22)16-6-10-17(11-7-16)23(24,25)26/h2-14H,1H3,(H,27,28)
InChIKeyCHDZZPNHDYFIOS-UHFFFAOYSA-N
XLogP6.44
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.40
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)phenyl]-5-[4-(trifluoromethyl)phenyl]-1H-imidazole?
The IUPAC name of 2-[2-(4-methoxyphenyl)phenyl]-5-[4-(trifluoromethyl)phenyl]-1H-imidazole (CID 11474889) is 2-[2-(4-methoxyphenyl)phenyl]-5-[4-(trifluoromethyl)phenyl]-1H-imidazole.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)phenyl]-5-[4-(trifluoromethyl)phenyl]-1H-imidazole?
The canonical SMILES for 2-[2-(4-methoxyphenyl)phenyl]-5-[4-(trifluoromethyl)phenyl]-1H-imidazole is COc1ccc(-c2ccccc2-c2ncc(-c3ccc(C(F)(F)F)cc3)[nH]2)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)phenyl]-5-[4-(trifluoromethyl)phenyl]-1H-imidazole?
The InChIKey is CHDZZPNHDYFIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N2O/c1-29-18-12-8-15(9-13-18)19-4-2-3-5-20(19)22-27-14-21(28-22)16-6-10-17(11-7-16)23(24,25)26/h2-14H,1H3,(H,27,28).
What are the key properties of 2-[2-(4-methoxyphenyl)phenyl]-5-[4-(trifluoromethyl)phenyl]-1H-imidazole?
2-[2-(4-methoxyphenyl)phenyl]-5-[4-(trifluoromethyl)phenyl]-1H-imidazole has a molecular weight of 394.40 g/mol, XLogP of 6.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)phenyl]-5-[4-(trifluoromethyl)phenyl]-1H-imidazole is sourced from PubChem (CID 11474889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).