1-methyl-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine

C13H16F3N3O — CID 120970341

IUPAC1-methyl-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine
SMILESCN1CCN=C1NCc1ccccc1OCC(F)(F)F
InChIInChI=1S/C13H16F3N3O/c1-19-7-6-17-12(19)18-8-10-4-2-3-5-11(10)20-9-13(14,15)16/h2-5H,6-9H2,1H3,(H,17,18)
InChIKeyIVZJMFQXTVJOAJ-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.02
Rot. Bonds4

About 1-methyl-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine

1-methyl-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine (PubChem CID 120970341) has the molecular formula C13H16F3N3O and a molecular weight of 287.29 g/mol. Its IUPAC name is 1-methyl-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-methyl-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine
PubChem CID120970341
Molecular FormulaC13H16F3N3O
Molecular Weight287.29 g/mol
Exact Mass287.12
IUPAC Name1-methyl-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine
SMILESCN1CCN=C1NCc1ccccc1OCC(F)(F)F
InChIInChI=1S/C13H16F3N3O/c1-19-7-6-17-12(19)18-8-10-4-2-3-5-11(10)20-9-13(14,15)16/h2-5H,6-9H2,1H3,(H,17,18)
InChIKeyIVZJMFQXTVJOAJ-UHFFFAOYSA-N
XLogP2.02
TPSA36.86 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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Related Compounds

N-[(2-ethoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969504
N-[(2-cyclopentyloxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969677
N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110917962
N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120971050
1-methyl-N-[[2-(propoxymethyl)phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120970144
N-[(2-ethoxy-3-pyridinyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120969710
N-[2-(2-methoxyphenyl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969157
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969799
N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120970800
N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]ethanamine
CID 43277259
1-methyl-N-[(2-piperidin-1-ylphenyl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120972030
N-[(2-ethoxy-4-methylphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120971604

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-methyl-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine (CID 120970341) is 1-methyl-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-methyl-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-methyl-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine is CN1CCN=C1NCc1ccccc1OCC(F)(F)F.
What is the InChIKey of 1-methyl-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine?
The InChIKey is IVZJMFQXTVJOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O/c1-19-7-6-17-12(19)18-8-10-4-2-3-5-11(10)20-9-13(14,15)16/h2-5H,6-9H2,1H3,(H,17,18).
What are the key properties of 1-methyl-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine?
1-methyl-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]-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-methyl-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 120970341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).