5-methyl-2-[3-(trifluoromethyl)phenoxy]-1H-imidazole

C11H9F3N2O — CID 117189430

IUPAC5-methyl-2-[3-(trifluoromethyl)phenoxy]-1H-imidazole
SMILESCc1cnc(Oc2cccc(C(F)(F)F)c2)[nH]1
InChIInChI=1S/C11H9F3N2O/c1-7-6-15-10(16-7)17-9-4-2-3-8(5-9)11(12,13)14/h2-6H,1H3,(H,15,16)
InChIKeyXHVBMNHYDPXSAJ-UHFFFAOYSA-N
MW242.20 g/mol
LogP3.53
Rot. Bonds2

About 5-methyl-2-[3-(trifluoromethyl)phenoxy]-1H-imidazole

5-methyl-2-[3-(trifluoromethyl)phenoxy]-1H-imidazole (PubChem CID 117189430) has the molecular formula C11H9F3N2O and a molecular weight of 242.20 g/mol. Its IUPAC name is 5-methyl-2-[3-(trifluoromethyl)phenoxy]-1H-imidazole.

Molecular Properties

Compound Name5-methyl-2-[3-(trifluoromethyl)phenoxy]-1H-imidazole
PubChem CID117189430
Molecular FormulaC11H9F3N2O
Molecular Weight242.20 g/mol
Exact Mass242.07
IUPAC Name5-methyl-2-[3-(trifluoromethyl)phenoxy]-1H-imidazole
SMILESCc1cnc(Oc2cccc(C(F)(F)F)c2)[nH]1
InChIInChI=1S/C11H9F3N2O/c1-7-6-15-10(16-7)17-9-4-2-3-8(5-9)11(12,13)14/h2-6H,1H3,(H,15,16)
InChIKeyXHVBMNHYDPXSAJ-UHFFFAOYSA-N
XLogP3.53
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1H-Imidazole, 4-((3,4-dihydro-6-methoxy-1-methyl-2-naphthalenyl)methyl)-
CID 10467502
4-[3-(4-Butyl-phenoxy)-propyl]-1H-imidazole
CID 21193574
2-(4-(4-(Trifluoromethoxy)phenyl)-1H-imidazol-2-yl)propan-2-amine
CID 65459349
4-[3-(4-Prop-1-ynyl-phenoxy)-propyl]-1H-imidazole
CID 10586136
4-[3-(3-Trifluoromethyl-phenoxy)-propyl]-1H-imidazole
CID 9838305
1H-Imidazole, 4-[3-[4-(trifluoromethyl)phenoxy]propyl]-
CID 9863682
(1H-Imidazol-2-yl)-(4-methoxy-2-methyl-phenyl)-amine
CID 10198135
4-[2-(4-Propylphenoxy)ethyl]-1H-imidazole
CID 10376572
4-(2-p-Tolyloxy-ethyl)-1H-imidazole
CID 10536116
4-[2-(4-Cyanophenoxy)ethyl]-1H-imidazole
CID 10560537
5-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole
CID 10633117
1H-Imidazole, 5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-
CID 10682480

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[3-(trifluoromethyl)phenoxy]-1H-imidazole?
The IUPAC name of 5-methyl-2-[3-(trifluoromethyl)phenoxy]-1H-imidazole (CID 117189430) is 5-methyl-2-[3-(trifluoromethyl)phenoxy]-1H-imidazole.
What is the SMILES notation for 5-methyl-2-[3-(trifluoromethyl)phenoxy]-1H-imidazole?
The canonical SMILES for 5-methyl-2-[3-(trifluoromethyl)phenoxy]-1H-imidazole is Cc1cnc(Oc2cccc(C(F)(F)F)c2)[nH]1.
What is the InChIKey of 5-methyl-2-[3-(trifluoromethyl)phenoxy]-1H-imidazole?
The InChIKey is XHVBMNHYDPXSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O/c1-7-6-15-10(16-7)17-9-4-2-3-8(5-9)11(12,13)14/h2-6H,1H3,(H,15,16).
What are the key properties of 5-methyl-2-[3-(trifluoromethyl)phenoxy]-1H-imidazole?
5-methyl-2-[3-(trifluoromethyl)phenoxy]-1H-imidazole has a molecular weight of 242.20 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[3-(trifluoromethyl)phenoxy]-1H-imidazole is sourced from PubChem (CID 117189430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).