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

C12H14F3N3S — CID 79510280

IUPAC1-ethyl-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine
SMILESCCN1C(N)=NCC1c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C12H14F3N3S/c1-2-18-10(7-17-11(18)16)8-3-5-9(6-4-8)19-12(13,14)15/h3-6,10H,2,7H2,1H3,(H2,16,17)
InChIKeyDROCPHRCKWFDKV-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.99
Rot. Bonds3

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

1-ethyl-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine (PubChem CID 79510280) has the molecular formula C12H14F3N3S and a molecular weight of 289.33 g/mol. Its IUPAC name is 1-ethyl-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-ethyl-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine
PubChem CID79510280
Molecular FormulaC12H14F3N3S
Molecular Weight289.33 g/mol
Exact Mass289.09
IUPAC Name1-ethyl-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine
SMILESCCN1C(N)=NCC1c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C12H14F3N3S/c1-2-18-10(7-17-11(18)16)8-3-5-9(6-4-8)19-12(13,14)15/h3-6,10H,2,7H2,1H3,(H2,16,17)
InChIKeyDROCPHRCKWFDKV-UHFFFAOYSA-N
XLogP2.99
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Ethyl-5-(2-fluorophenyl)-4,5-dihydroimidazol-2-amine
CID 20353126
1-Ethyl-5-[3-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-2-amine
CID 20353175
1-[[4-Fluoro-2-(trifluoromethylsulfanyl)phenyl]methyl]-1-methylguanidine
CID 121451064
1-[[5-Fluoro-2-(trifluoromethylsulfanyl)phenyl]methyl]-1-methylguanidine
CID 121451065
1-Methyl-1-[[2-(trifluoromethylsulfanyl)phenyl]methyl]guanidine
CID 121451072
1-[[2-Fluoro-6-(trifluoromethylsulfanyl)phenyl]methyl]-1-methylguanidine
CID 121451091
1,2-Dimethyl-3-[[3-(trifluoromethylsulfanyl)phenyl]methyl]guanidine
CID 121451138
1-Ethyl-1-[[2-(trifluoromethylsulfanyl)phenyl]methyl]guanidine
CID 121451232
1-Ethyl-1-[[5-methyl-2-(trifluoromethylsulfanyl)phenyl]methyl]guanidine
CID 121451387
2-[3-[[2,2,2-Trifluoro-1-(4-methylsulfanylphenyl)ethyl]amino]propyl]guanidine
CID 144172684
3-[[2,2,2-Trifluoro-1-(4-methylsulfanylphenyl)ethyl]amino]azetidine-1-carboximidamide
CID 144492755
N,N-dimethyl-1-[4-(trifluoromethylsulfanyl)phenyl]ethane-1,2-diamine
CID 16785867

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-ethyl-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine (CID 79510280) is 1-ethyl-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-ethyl-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-ethyl-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine is CCN1C(N)=NCC1c1ccc(SC(F)(F)F)cc1.
What is the InChIKey of 1-ethyl-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine?
The InChIKey is DROCPHRCKWFDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3S/c1-2-18-10(7-17-11(18)16)8-3-5-9(6-4-8)19-12(13,14)15/h3-6,10H,2,7H2,1H3,(H2,16,17).
What are the key properties of 1-ethyl-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine?
1-ethyl-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine has a molecular weight of 289.33 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79510280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).