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

C13H16F3N3O — CID 79496702

IUPAC1-propan-2-yl-5-[2-(trifluoromethoxy)phenyl]-4,5-dihydroimidazol-2-amine
SMILESCC(C)N1C(N)=NCC1c1ccccc1OC(F)(F)F
InChIInChI=1S/C13H16F3N3O/c1-8(2)19-10(7-18-12(19)17)9-5-3-4-6-11(9)20-13(14,15)16/h3-6,8,10H,7H2,1-2H3,(H2,17,18)
InChIKeyWIKJZLSVXIHESW-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.66
Rot. Bonds3

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

1-propan-2-yl-5-[2-(trifluoromethoxy)phenyl]-4,5-dihydroimidazol-2-amine (PubChem CID 79496702) has the molecular formula C13H16F3N3O and a molecular weight of 287.29 g/mol. Its IUPAC name is 1-propan-2-yl-5-[2-(trifluoromethoxy)phenyl]-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-propan-2-yl-5-[2-(trifluoromethoxy)phenyl]-4,5-dihydroimidazol-2-amine
PubChem CID79496702
Molecular FormulaC13H16F3N3O
Molecular Weight287.29 g/mol
Exact Mass287.12
IUPAC Name1-propan-2-yl-5-[2-(trifluoromethoxy)phenyl]-4,5-dihydroimidazol-2-amine
SMILESCC(C)N1C(N)=NCC1c1ccccc1OC(F)(F)F
InChIInChI=1S/C13H16F3N3O/c1-8(2)19-10(7-18-12(19)17)9-5-3-4-6-11(9)20-13(14,15)16/h3-6,8,10H,7H2,1-2H3,(H2,17,18)
InChIKeyWIKJZLSVXIHESW-UHFFFAOYSA-N
XLogP2.66
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-5-[2-(trifluoromethoxy)phenyl]-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-propan-2-yl-5-[2-(trifluoromethoxy)phenyl]-4,5-dihydroimidazol-2-amine (CID 79496702) is 1-propan-2-yl-5-[2-(trifluoromethoxy)phenyl]-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-propan-2-yl-5-[2-(trifluoromethoxy)phenyl]-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-propan-2-yl-5-[2-(trifluoromethoxy)phenyl]-4,5-dihydroimidazol-2-amine is CC(C)N1C(N)=NCC1c1ccccc1OC(F)(F)F.
What is the InChIKey of 1-propan-2-yl-5-[2-(trifluoromethoxy)phenyl]-4,5-dihydroimidazol-2-amine?
The InChIKey is WIKJZLSVXIHESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O/c1-8(2)19-10(7-18-12(19)17)9-5-3-4-6-11(9)20-13(14,15)16/h3-6,8,10H,7H2,1-2H3,(H2,17,18).
What are the key properties of 1-propan-2-yl-5-[2-(trifluoromethoxy)phenyl]-4,5-dihydroimidazol-2-amine?
1-propan-2-yl-5-[2-(trifluoromethoxy)phenyl]-4,5-dihydroimidazol-2-amine has a molecular weight of 287.29 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-5-[2-(trifluoromethoxy)phenyl]-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79496702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).