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

C11H12F3N3S — CID 79509818

IUPAC1-methyl-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine
SMILESCN1C(N)=NCC1c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C11H12F3N3S/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)
InChIKeyFFLICWPXPKDVPP-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.60
Rot. Bonds2

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

1-methyl-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine (PubChem CID 79509818) has the molecular formula C11H12F3N3S and a molecular weight of 275.30 g/mol. Its IUPAC name is 1-methyl-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-methyl-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine
PubChem CID79509818
Molecular FormulaC11H12F3N3S
Molecular Weight275.30 g/mol
Exact Mass275.07
IUPAC Name1-methyl-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine
SMILESCN1C(N)=NCC1c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C11H12F3N3S/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)
InChIKeyFFLICWPXPKDVPP-UHFFFAOYSA-N
XLogP2.60
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.60
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-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-methyl-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine (CID 79509818) is 1-methyl-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-methyl-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-methyl-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine is CN1C(N)=NCC1c1ccc(SC(F)(F)F)cc1.
What is the InChIKey of 1-methyl-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine?
The InChIKey is FFLICWPXPKDVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3S/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-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine?
1-methyl-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine has a molecular weight of 275.30 g/mol, XLogP of 2.60, 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-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79509818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).