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

C11H12F3N3O — CID 79509586

IUPAC1-methyl-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydroimidazol-2-amine
SMILESCN1C(N)=NCC1c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C11H12F3N3O/c1-17-9(6-16-10(17)15)7-2-4-8(5-3-7)18-11(12,13)14/h2-5,9H,6H2,1H3,(H2,15,16)
InChIKeyHTXDDQQRIMUSPA-UHFFFAOYSA-N
MW259.23 g/mol
LogP1.89
Rot. Bonds2

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

1-methyl-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydroimidazol-2-amine (PubChem CID 79509586) has the molecular formula C11H12F3N3O and a molecular weight of 259.23 g/mol. Its IUPAC name is 1-methyl-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-methyl-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydroimidazol-2-amine
PubChem CID79509586
Molecular FormulaC11H12F3N3O
Molecular Weight259.23 g/mol
Exact Mass259.09
IUPAC Name1-methyl-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydroimidazol-2-amine
SMILESCN1C(N)=NCC1c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C11H12F3N3O/c1-17-9(6-16-10(17)15)7-2-4-8(5-3-7)18-11(12,13)14/h2-5,9H,6H2,1H3,(H2,15,16)
InChIKeyHTXDDQQRIMUSPA-UHFFFAOYSA-N
XLogP1.89
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-methyl-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydroimidazol-2-amine (CID 79509586) is 1-methyl-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-methyl-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-methyl-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydroimidazol-2-amine is CN1C(N)=NCC1c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 1-methyl-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydroimidazol-2-amine?
The InChIKey is HTXDDQQRIMUSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O/c1-17-9(6-16-10(17)15)7-2-4-8(5-3-7)18-11(12,13)14/h2-5,9H,6H2,1H3,(H2,15,16).
What are the key properties of 1-methyl-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydroimidazol-2-amine?
1-methyl-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydroimidazol-2-amine has a molecular weight of 259.23 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79509586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).