1-(2-methoxyethyl)-5-[2-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-2-amine

C13H16F3N3O — CID 79505086

IUPAC1-(2-methoxyethyl)-5-[2-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-2-amine
SMILESCOCCN1C(N)=NCC1c1ccccc1C(F)(F)F
InChIInChI=1S/C13H16F3N3O/c1-20-7-6-19-11(8-18-12(19)17)9-4-2-3-5-10(9)13(14,15)16/h2-5,11H,6-8H2,1H3,(H2,17,18)
InChIKeyIXTJRNNXBBXOHW-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.02
Rot. Bonds4

About 1-(2-methoxyethyl)-5-[2-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-2-amine

1-(2-methoxyethyl)-5-[2-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-2-amine (PubChem CID 79505086) has the molecular formula C13H16F3N3O and a molecular weight of 287.29 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-5-[2-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-5-[2-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-2-amine
PubChem CID79505086
Molecular FormulaC13H16F3N3O
Molecular Weight287.29 g/mol
Exact Mass287.12
IUPAC Name1-(2-methoxyethyl)-5-[2-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-2-amine
SMILESCOCCN1C(N)=NCC1c1ccccc1C(F)(F)F
InChIInChI=1S/C13H16F3N3O/c1-20-7-6-19-11(8-18-12(19)17)9-4-2-3-5-10(9)13(14,15)16/h2-5,11H,6-8H2,1H3,(H2,17,18)
InChIKeyIXTJRNNXBBXOHW-UHFFFAOYSA-N
XLogP2.02
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-5-[2-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-(2-methoxyethyl)-5-[2-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-2-amine (CID 79505086) is 1-(2-methoxyethyl)-5-[2-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-(2-methoxyethyl)-5-[2-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-(2-methoxyethyl)-5-[2-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-2-amine is COCCN1C(N)=NCC1c1ccccc1C(F)(F)F.
What is the InChIKey of 1-(2-methoxyethyl)-5-[2-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-2-amine?
The InChIKey is IXTJRNNXBBXOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O/c1-20-7-6-19-11(8-18-12(19)17)9-4-2-3-5-10(9)13(14,15)16/h2-5,11H,6-8H2,1H3,(H2,17,18).
What are the key properties of 1-(2-methoxyethyl)-5-[2-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-2-amine?
1-(2-methoxyethyl)-5-[2-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-2-amine has a molecular weight of 287.29 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-5-[2-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79505086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).