3-methyl-2-[4-(trifluoromethyl)phenoxy]imidazol-4-amine

C11H10F3N3O — CID 117190489

IUPAC3-methyl-2-[4-(trifluoromethyl)phenoxy]imidazol-4-amine
SMILESCn1c(N)cnc1Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H10F3N3O/c1-17-9(15)6-16-10(17)18-8-4-2-7(3-5-8)11(12,13)14/h2-6H,15H2,1H3
InChIKeyAOGUPNPSVDYPPR-UHFFFAOYSA-N
MW257.22 g/mol
LogP2.81
Rot. Bonds2

About 3-methyl-2-[4-(trifluoromethyl)phenoxy]imidazol-4-amine

3-methyl-2-[4-(trifluoromethyl)phenoxy]imidazol-4-amine (PubChem CID 117190489) has the molecular formula C11H10F3N3O and a molecular weight of 257.22 g/mol. Its IUPAC name is 3-methyl-2-[4-(trifluoromethyl)phenoxy]imidazol-4-amine.

Molecular Properties

Compound Name3-methyl-2-[4-(trifluoromethyl)phenoxy]imidazol-4-amine
PubChem CID117190489
Molecular FormulaC11H10F3N3O
Molecular Weight257.22 g/mol
Exact Mass257.08
IUPAC Name3-methyl-2-[4-(trifluoromethyl)phenoxy]imidazol-4-amine
SMILESCn1c(N)cnc1Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H10F3N3O/c1-17-9(15)6-16-10(17)18-8-4-2-7(3-5-8)11(12,13)14/h2-6H,15H2,1H3
InChIKeyAOGUPNPSVDYPPR-UHFFFAOYSA-N
XLogP2.81
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-1-methyl-2-[4-(trifluoromethyl)phenoxy]imidazole
CID 117260362
[4-methyl-2-[4-(trifluoromethyl)phenoxy]pyrimidin-5-yl]methanamine
CID 83189114
4-[4-(trifluoromethyl)phenoxy]pyrimidin-5-amine
CID 79917598
2-(4-methoxyphenyl)-1-methyl-5-[4-(trifluoromethyl)phenyl]imidazole
CID 53243372
3-bromo-5-[4-(trifluoromethyl)phenoxy]pyridin-2-amine
CID 171590489
6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-amine
CID 80862607
2-[4-(trifluoromethyl)phenoxy]-1,3-oxazol-4-amine
CID 117188911
4-[4-(trifluoromethyl)phenoxy]-1,2-oxazole
CID 117233378
5-bromo-4-methoxy-2-[4-(trifluoromethyl)phenoxy]pyrimidine
CID 106999154
3-(2-methylpyrazol-3-yl)-2-[4-(trifluoromethyl)phenoxy]pyridine
CID 135235807
5-[4-(trifluoromethyl)phenoxy]pyridine-2-carbothioamide
CID 115488880
2-(trifluoromethyl)-5-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)phenyl]imidazole
CID 175089422

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[4-(trifluoromethyl)phenoxy]imidazol-4-amine?
The IUPAC name of 3-methyl-2-[4-(trifluoromethyl)phenoxy]imidazol-4-amine (CID 117190489) is 3-methyl-2-[4-(trifluoromethyl)phenoxy]imidazol-4-amine.
What is the SMILES notation for 3-methyl-2-[4-(trifluoromethyl)phenoxy]imidazol-4-amine?
The canonical SMILES for 3-methyl-2-[4-(trifluoromethyl)phenoxy]imidazol-4-amine is Cn1c(N)cnc1Oc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-methyl-2-[4-(trifluoromethyl)phenoxy]imidazol-4-amine?
The InChIKey is AOGUPNPSVDYPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O/c1-17-9(15)6-16-10(17)18-8-4-2-7(3-5-8)11(12,13)14/h2-6H,15H2,1H3.
What are the key properties of 3-methyl-2-[4-(trifluoromethyl)phenoxy]imidazol-4-amine?
3-methyl-2-[4-(trifluoromethyl)phenoxy]imidazol-4-amine has a molecular weight of 257.22 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[4-(trifluoromethyl)phenoxy]imidazol-4-amine is sourced from PubChem (CID 117190489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).