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

C13H14F3N3S — CID 79498324

IUPAC1-prop-2-enyl-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine
SMILESC=CCN1C(N)=NCC1c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C13H14F3N3S/c1-2-7-19-11(8-18-12(19)17)9-3-5-10(6-4-9)20-13(14,15)16/h2-6,11H,1,7-8H2,(H2,17,18)
InChIKeyONRYFGSGKJGZSI-UHFFFAOYSA-N
MW301.34 g/mol
LogP3.16
Rot. Bonds4

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

1-prop-2-enyl-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine (PubChem CID 79498324) has the molecular formula C13H14F3N3S and a molecular weight of 301.34 g/mol. Its IUPAC name is 1-prop-2-enyl-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-prop-2-enyl-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine
PubChem CID79498324
Molecular FormulaC13H14F3N3S
Molecular Weight301.34 g/mol
Exact Mass301.09
IUPAC Name1-prop-2-enyl-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine
SMILESC=CCN1C(N)=NCC1c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C13H14F3N3S/c1-2-7-19-11(8-18-12(19)17)9-3-5-10(6-4-9)20-13(14,15)16/h2-6,11H,1,7-8H2,(H2,17,18)
InChIKeyONRYFGSGKJGZSI-UHFFFAOYSA-N
XLogP3.16
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-prop-2-enyl-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine (CID 79498324) is 1-prop-2-enyl-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-prop-2-enyl-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-prop-2-enyl-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine is C=CCN1C(N)=NCC1c1ccc(SC(F)(F)F)cc1.
What is the InChIKey of 1-prop-2-enyl-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine?
The InChIKey is ONRYFGSGKJGZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3S/c1-2-7-19-11(8-18-12(19)17)9-3-5-10(6-4-9)20-13(14,15)16/h2-6,11H,1,7-8H2,(H2,17,18).
What are the key properties of 1-prop-2-enyl-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine?
1-prop-2-enyl-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine has a molecular weight of 301.34 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79498324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).