5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine

C10H10F3N3S — CID 79510234

IUPAC5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESNC1=NCC(c2ccc(SC(F)(F)F)cc2)N1
InChIInChI=1S/C10H10F3N3S/c11-10(12,13)17-7-3-1-6(2-4-7)8-5-15-9(14)16-8/h1-4,8H,5H2,(H3,14,15,16)
InChIKeyCSTUQPJJFXJUGG-UHFFFAOYSA-N
MW261.27 g/mol
LogP2.26
Rot. Bonds2

About 5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine

5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 79510234) has the molecular formula C10H10F3N3S and a molecular weight of 261.27 g/mol. Its IUPAC name is 5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound Name5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine
PubChem CID79510234
Molecular FormulaC10H10F3N3S
Molecular Weight261.27 g/mol
Exact Mass261.05
IUPAC Name5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESNC1=NCC(c2ccc(SC(F)(F)F)cc2)N1
InChIInChI=1S/C10H10F3N3S/c11-10(12,13)17-7-3-1-6(2-4-7)8-5-15-9(14)16-8/h1-4,8H,5H2,(H3,14,15,16)
InChIKeyCSTUQPJJFXJUGG-UHFFFAOYSA-N
XLogP2.26
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(4-fluorophenyl)sulfanylphenyl]methyl]-4,5-dihydro-1H-imidazol-2-amine
CID 826625
N-(4,5-dihydro-1H-imidazol-2-yl)-N-{2-[(2-fluorophenyl)sulfanyl]benzyl}amine
CID 826627
N-(3,4-dihydro-2H-thiochromen-4-yl)-4,5-dihydro-1H-imidazol-2-amine
CID 51105873
N-(2,2,2-trifluoro-1-phenylethyl)-4,5-dihydro-1H-imidazol-2-amine
CID 20552313
N-[5-(trifluoromethylsulfanyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl]-4,5-dihydro-1H-imidazol-2-amine;hydrobromide
CID 23321016
N-[5-(trifluoromethylsulfanyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl]-4,5-dihydro-1H-imidazol-2-amine
CID 23321017
4,5-Dihydro-N-(2,2,2-trifluoro-1-phenylethyl)-2-thiazolamine
CID 54168734
N'-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethane-1,2-diamine
CID 60887178
N-(1,2,2-trifluoro-1-phenylethyl)-4,5-dihydro-1H-imidazol-2-amine
CID 70552248
N'-[(E)-(4-chloro-2-methylidenethiophen-3-ylidene)-[1-[4-(2,2,2-trifluoroethylsulfanyl)phenyl]ethylamino]methyl]methanimidamide
CID 70792114
N'-[(E)-(4-chloro-2-methylidenethiophen-3-ylidene)-[1-[4-(trifluoromethylsulfanyl)phenyl]ethylamino]methyl]methanimidamide
CID 70792117
N'-[(E)-(4-chloro-2-methylidenethiophen-3-ylidene)-[1-[4-(difluoromethylsulfanyl)phenyl]ethylamino]methyl]methanimidamide
CID 70792118

Frequently Asked Questions

What is the IUPAC name of 5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of 5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine (CID 79510234) is 5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for 5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for 5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine is NC1=NCC(c2ccc(SC(F)(F)F)cc2)N1.
What is the InChIKey of 5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is CSTUQPJJFXJUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3S/c11-10(12,13)17-7-3-1-6(2-4-7)8-5-15-9(14)16-8/h1-4,8H,5H2,(H3,14,15,16).
What are the key properties of 5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine?
5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 261.27 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 79510234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).