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

C13H16F3N3S — CID 79497043

IUPAC1-propan-2-yl-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine
SMILESCC(C)N1C(N)=NCC1c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C13H16F3N3S/c1-8(2)19-11(7-18-12(19)17)9-3-5-10(6-4-9)20-13(14,15)16/h3-6,8,11H,7H2,1-2H3,(H2,17,18)
InChIKeyLHBJWVNYGPKSSS-UHFFFAOYSA-N
MW303.35 g/mol
LogP3.38
Rot. Bonds3

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

1-propan-2-yl-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine (PubChem CID 79497043) has the molecular formula C13H16F3N3S and a molecular weight of 303.35 g/mol. Its IUPAC name is 1-propan-2-yl-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-propan-2-yl-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine
PubChem CID79497043
Molecular FormulaC13H16F3N3S
Molecular Weight303.35 g/mol
Exact Mass303.10
IUPAC Name1-propan-2-yl-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine
SMILESCC(C)N1C(N)=NCC1c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C13H16F3N3S/c1-8(2)19-11(7-18-12(19)17)9-3-5-10(6-4-9)20-13(14,15)16/h3-6,8,11H,7H2,1-2H3,(H2,17,18)
InChIKeyLHBJWVNYGPKSSS-UHFFFAOYSA-N
XLogP3.38
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 53.38
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-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-propan-2-yl-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine (CID 79497043) is 1-propan-2-yl-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-propan-2-yl-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-propan-2-yl-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine is CC(C)N1C(N)=NCC1c1ccc(SC(F)(F)F)cc1.
What is the InChIKey of 1-propan-2-yl-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine?
The InChIKey is LHBJWVNYGPKSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3S/c1-8(2)19-11(7-18-12(19)17)9-3-5-10(6-4-9)20-13(14,15)16/h3-6,8,11H,7H2,1-2H3,(H2,17,18).
What are the key properties of 1-propan-2-yl-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine?
1-propan-2-yl-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine has a molecular weight of 303.35 g/mol, XLogP of 3.38, 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-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79497043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).