1-(2-methoxyethyl)-5-[3-(trifluoromethoxy)phenyl]-4,5-dihydroimidazol-2-amine

C13H16F3N3O2 — CID 107105378

IUPAC1-(2-methoxyethyl)-5-[3-(trifluoromethoxy)phenyl]-4,5-dihydroimidazol-2-amine
SMILESCOCCN1C(N)=NCC1c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C13H16F3N3O2/c1-20-6-5-19-11(8-18-12(19)17)9-3-2-4-10(7-9)21-13(14,15)16/h2-4,7,11H,5-6,8H2,1H3,(H2,17,18)
InChIKeyXAVQTFHZYBOZTF-UHFFFAOYSA-N
MW303.28 g/mol
LogP1.90
Rot. Bonds5

About 1-(2-methoxyethyl)-5-[3-(trifluoromethoxy)phenyl]-4,5-dihydroimidazol-2-amine

1-(2-methoxyethyl)-5-[3-(trifluoromethoxy)phenyl]-4,5-dihydroimidazol-2-amine (PubChem CID 107105378) has the molecular formula C13H16F3N3O2 and a molecular weight of 303.28 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-5-[3-(trifluoromethoxy)phenyl]-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-5-[3-(trifluoromethoxy)phenyl]-4,5-dihydroimidazol-2-amine
PubChem CID107105378
Molecular FormulaC13H16F3N3O2
Molecular Weight303.28 g/mol
Exact Mass303.12
IUPAC Name1-(2-methoxyethyl)-5-[3-(trifluoromethoxy)phenyl]-4,5-dihydroimidazol-2-amine
SMILESCOCCN1C(N)=NCC1c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C13H16F3N3O2/c1-20-6-5-19-11(8-18-12(19)17)9-3-2-4-10(7-9)21-13(14,15)16/h2-4,7,11H,5-6,8H2,1H3,(H2,17,18)
InChIKeyXAVQTFHZYBOZTF-UHFFFAOYSA-N
XLogP1.90
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-5-[3-(trifluoromethoxy)phenyl]-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-(2-methoxyethyl)-5-[3-(trifluoromethoxy)phenyl]-4,5-dihydroimidazol-2-amine (CID 107105378) is 1-(2-methoxyethyl)-5-[3-(trifluoromethoxy)phenyl]-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-(2-methoxyethyl)-5-[3-(trifluoromethoxy)phenyl]-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-(2-methoxyethyl)-5-[3-(trifluoromethoxy)phenyl]-4,5-dihydroimidazol-2-amine is COCCN1C(N)=NCC1c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 1-(2-methoxyethyl)-5-[3-(trifluoromethoxy)phenyl]-4,5-dihydroimidazol-2-amine?
The InChIKey is XAVQTFHZYBOZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O2/c1-20-6-5-19-11(8-18-12(19)17)9-3-2-4-10(7-9)21-13(14,15)16/h2-4,7,11H,5-6,8H2,1H3,(H2,17,18).
What are the key properties of 1-(2-methoxyethyl)-5-[3-(trifluoromethoxy)phenyl]-4,5-dihydroimidazol-2-amine?
1-(2-methoxyethyl)-5-[3-(trifluoromethoxy)phenyl]-4,5-dihydroimidazol-2-amine has a molecular weight of 303.28 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-5-[3-(trifluoromethoxy)phenyl]-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 107105378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).