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

C11H6F6N2O — CID 151930953

IUPAC2-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-1H-imidazole
SMILESFC(F)(F)Oc1ccc(-c2ncc(C(F)(F)F)[nH]2)cc1
InChIInChI=1S/C11H6F6N2O/c12-10(13,14)8-5-18-9(19-8)6-1-3-7(4-2-6)20-11(15,16)17/h1-5H,(H,18,19)
InChIKeySYTVVZXEFNLTNO-UHFFFAOYSA-N
MW296.17 g/mol
LogP3.99
Rot. Bonds2

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

2-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-1H-imidazole (PubChem CID 151930953) has the molecular formula C11H6F6N2O and a molecular weight of 296.17 g/mol. Its IUPAC name is 2-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-1H-imidazole.

Molecular Properties

Compound Name2-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-1H-imidazole
PubChem CID151930953
Molecular FormulaC11H6F6N2O
Molecular Weight296.17 g/mol
Exact Mass296.04
IUPAC Name2-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-1H-imidazole
SMILESFC(F)(F)Oc1ccc(-c2ncc(C(F)(F)F)[nH]2)cc1
InChIInChI=1S/C11H6F6N2O/c12-10(13,14)8-5-18-9(19-8)6-1-3-7(4-2-6)20-11(15,16)17/h1-5H,(H,18,19)
InChIKeySYTVVZXEFNLTNO-UHFFFAOYSA-N
XLogP3.99
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-[4-(trifluoromethoxy)phenyl]-1H-imidazol-5-yl]aniline
CID 68628481
2-[4-(chloromethyl)phenyl]-5-(trifluoromethyl)-1H-imidazole
CID 170707449
2-methyl-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine
CID 22759818
(2S)-1-(tert-butylamino)-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol
CID 12878477
2-[3-methyl-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1H-imidazole
CID 87928901
carbon dioxide;2-[4-[(4-methylphenoxy)methyl]cyclohexyl]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine
CID 176547263
2-[3-(methoxymethoxy)phenyl]-5-(trifluoromethyl)-1H-imidazole
CID 22759806
1-[5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]ethanamine
CID 43649795
2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-1H-benzimidazole
CID 168554030
5-[4-(trifluoromethoxy)phenyl]-2,3-bis(trifluoromethyl)pyridine
CID 118991248
2-[4-(trifluoromethoxy)phenyl]pyrazine
CID 91219772
4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]aniline
CID 59322784

Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-1H-imidazole?
The IUPAC name of 2-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-1H-imidazole (CID 151930953) is 2-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-1H-imidazole.
What is the SMILES notation for 2-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-1H-imidazole?
The canonical SMILES for 2-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-1H-imidazole is FC(F)(F)Oc1ccc(-c2ncc(C(F)(F)F)[nH]2)cc1.
What is the InChIKey of 2-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-1H-imidazole?
The InChIKey is SYTVVZXEFNLTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F6N2O/c12-10(13,14)8-5-18-9(19-8)6-1-3-7(4-2-6)20-11(15,16)17/h1-5H,(H,18,19).
What are the key properties of 2-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-1H-imidazole?
2-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-1H-imidazole has a molecular weight of 296.17 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-1H-imidazole is sourced from PubChem (CID 151930953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).