5-phenyl-2-[3-(trifluoromethoxy)phenyl]-1H-imidazole

C16H11F3N2O — CID 122182024

IUPAC5-phenyl-2-[3-(trifluoromethoxy)phenyl]-1H-imidazole
SMILESFC(F)(F)Oc1cccc(-c2ncc(-c3ccccc3)[nH]2)c1
InChIInChI=1S/C16H11F3N2O/c17-16(18,19)22-13-8-4-7-12(9-13)15-20-10-14(21-15)11-5-2-1-3-6-11/h1-10H,(H,20,21)
InChIKeyWCMMRIABPLFSCY-UHFFFAOYSA-N
MW304.27 g/mol
LogP4.64
Rot. Bonds3

About 5-phenyl-2-[3-(trifluoromethoxy)phenyl]-1H-imidazole

5-phenyl-2-[3-(trifluoromethoxy)phenyl]-1H-imidazole (PubChem CID 122182024) has the molecular formula C16H11F3N2O and a molecular weight of 304.27 g/mol. Its IUPAC name is 5-phenyl-2-[3-(trifluoromethoxy)phenyl]-1H-imidazole.

Molecular Properties

Compound Name5-phenyl-2-[3-(trifluoromethoxy)phenyl]-1H-imidazole
PubChem CID122182024
Molecular FormulaC16H11F3N2O
Molecular Weight304.27 g/mol
Exact Mass304.08
IUPAC Name5-phenyl-2-[3-(trifluoromethoxy)phenyl]-1H-imidazole
SMILESFC(F)(F)Oc1cccc(-c2ncc(-c3ccccc3)[nH]2)c1
InChIInChI=1S/C16H11F3N2O/c17-16(18,19)22-13-8-4-7-12(9-13)15-20-10-14(21-15)11-5-2-1-3-6-11/h1-10H,(H,20,21)
InChIKeyWCMMRIABPLFSCY-UHFFFAOYSA-N
XLogP4.64
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-[3-(trifluoromethoxy)phenyl]-1H-imidazole?
The IUPAC name of 5-phenyl-2-[3-(trifluoromethoxy)phenyl]-1H-imidazole (CID 122182024) is 5-phenyl-2-[3-(trifluoromethoxy)phenyl]-1H-imidazole.
What is the SMILES notation for 5-phenyl-2-[3-(trifluoromethoxy)phenyl]-1H-imidazole?
The canonical SMILES for 5-phenyl-2-[3-(trifluoromethoxy)phenyl]-1H-imidazole is FC(F)(F)Oc1cccc(-c2ncc(-c3ccccc3)[nH]2)c1.
What is the InChIKey of 5-phenyl-2-[3-(trifluoromethoxy)phenyl]-1H-imidazole?
The InChIKey is WCMMRIABPLFSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O/c17-16(18,19)22-13-8-4-7-12(9-13)15-20-10-14(21-15)11-5-2-1-3-6-11/h1-10H,(H,20,21).
What are the key properties of 5-phenyl-2-[3-(trifluoromethoxy)phenyl]-1H-imidazole?
5-phenyl-2-[3-(trifluoromethoxy)phenyl]-1H-imidazole has a molecular weight of 304.27 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-[3-(trifluoromethoxy)phenyl]-1H-imidazole is sourced from PubChem (CID 122182024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).