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

C11H10F3N3O — CID 117191481

IUPAC5-[[3-(trifluoromethyl)phenoxy]methyl]-1H-imidazol-2-amine
SMILESNc1ncc(COc2cccc(C(F)(F)F)c2)[nH]1
InChIInChI=1S/C11H10F3N3O/c12-11(13,14)7-2-1-3-9(4-7)18-6-8-5-16-10(15)17-8/h1-5H,6H2,(H3,15,16,17)
InChIKeyIDQAUYPIDSPGRQ-UHFFFAOYSA-N
MW257.22 g/mol
LogP2.59
Rot. Bonds3

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

5-[[3-(trifluoromethyl)phenoxy]methyl]-1H-imidazol-2-amine (PubChem CID 117191481) has the molecular formula C11H10F3N3O and a molecular weight of 257.22 g/mol. Its IUPAC name is 5-[[3-(trifluoromethyl)phenoxy]methyl]-1H-imidazol-2-amine.

Molecular Properties

Compound Name5-[[3-(trifluoromethyl)phenoxy]methyl]-1H-imidazol-2-amine
PubChem CID117191481
Molecular FormulaC11H10F3N3O
Molecular Weight257.22 g/mol
Exact Mass257.08
IUPAC Name5-[[3-(trifluoromethyl)phenoxy]methyl]-1H-imidazol-2-amine
SMILESNc1ncc(COc2cccc(C(F)(F)F)c2)[nH]1
InChIInChI=1S/C11H10F3N3O/c12-11(13,14)7-2-1-3-9(4-7)18-6-8-5-16-10(15)17-8/h1-5H,6H2,(H3,15,16,17)
InChIKeyIDQAUYPIDSPGRQ-UHFFFAOYSA-N
XLogP2.59
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[3-(trifluoromethyl)phenoxy]methyl]-2H-triazol-4-amine
CID 117214169
4-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazol-5-amine
CID 117216211
1-fluoro-4-[[3-(trifluoromethyl)phenoxy]methyl]benzene
CID 90934735
[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanamine
CID 106907819
2,4-dichloro-5-[[3-(trifluoromethyl)phenoxy]methyl]pyridine
CID 116519388
1-(trifluoromethyl)-3-[3-[3-(trifluoromethyl)phenoxy]propoxy]benzene
CID 2766200
3-[2-[3-(trifluoromethyl)phenoxy]ethoxy]aniline
CID 43366096
3-chloro-5-(trifluoromethyl)-2-[[3-(trifluoromethyl)phenoxy]methyl]pyridine
CID 2780427
3-fluoro-4-[[3-(trifluoromethyl)phenoxy]methyl]aniline
CID 64768298
1-ethyl-3-[[3-(trifluoromethyl)phenoxy]methyl]pyrazol-5-amine
CID 117216049
1-fluoro-3-[[3-(trifluoromethyl)phenoxy]methyl]benzene
CID 91656323
2-[[3-(trifluoromethyl)phenoxy]methyl]phenol
CID 117221120

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(trifluoromethyl)phenoxy]methyl]-1H-imidazol-2-amine?
The IUPAC name of 5-[[3-(trifluoromethyl)phenoxy]methyl]-1H-imidazol-2-amine (CID 117191481) is 5-[[3-(trifluoromethyl)phenoxy]methyl]-1H-imidazol-2-amine.
What is the SMILES notation for 5-[[3-(trifluoromethyl)phenoxy]methyl]-1H-imidazol-2-amine?
The canonical SMILES for 5-[[3-(trifluoromethyl)phenoxy]methyl]-1H-imidazol-2-amine is Nc1ncc(COc2cccc(C(F)(F)F)c2)[nH]1.
What is the InChIKey of 5-[[3-(trifluoromethyl)phenoxy]methyl]-1H-imidazol-2-amine?
The InChIKey is IDQAUYPIDSPGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O/c12-11(13,14)7-2-1-3-9(4-7)18-6-8-5-16-10(15)17-8/h1-5H,6H2,(H3,15,16,17).
What are the key properties of 5-[[3-(trifluoromethyl)phenoxy]methyl]-1H-imidazol-2-amine?
5-[[3-(trifluoromethyl)phenoxy]methyl]-1H-imidazol-2-amine has a molecular weight of 257.22 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(trifluoromethyl)phenoxy]methyl]-1H-imidazol-2-amine is sourced from PubChem (CID 117191481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).