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

C14H18F3N3S — CID 79502113

IUPAC1-butan-2-yl-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine
SMILESCCC(C)N1C(N)=NCC1c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C14H18F3N3S/c1-3-9(2)20-12(8-19-13(20)18)10-4-6-11(7-5-10)21-14(15,16)17/h4-7,9,12H,3,8H2,1-2H3,(H2,18,19)
InChIKeyXRRZZQLLPWZXJI-UHFFFAOYSA-N
MW317.38 g/mol
LogP3.77
Rot. Bonds4

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

1-butan-2-yl-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine (PubChem CID 79502113) has the molecular formula C14H18F3N3S and a molecular weight of 317.38 g/mol. Its IUPAC name is 1-butan-2-yl-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-butan-2-yl-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine
PubChem CID79502113
Molecular FormulaC14H18F3N3S
Molecular Weight317.38 g/mol
Exact Mass317.12
IUPAC Name1-butan-2-yl-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine
SMILESCCC(C)N1C(N)=NCC1c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C14H18F3N3S/c1-3-9(2)20-12(8-19-13(20)18)10-4-6-11(7-5-10)21-14(15,16)17/h4-7,9,12H,3,8H2,1-2H3,(H2,18,19)
InChIKeyXRRZZQLLPWZXJI-UHFFFAOYSA-N
XLogP3.77
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-Fluorophenyl)-1-hexyl-4,5-dihydroimidazol-2-amine
CID 20352917
1-Ethyl-5-[3-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-2-amine
CID 20353175
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
1-Methyl-1-[[2-(trifluoromethylsulfanyl)phenyl]methyl]guanidine
CID 121451072
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
Ethane;2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]guanidine
CID 145111150
4-[(4-Methylsulfanylphenyl)methyl]piperazine-1-carboximidamide
CID 3043170
N',N'-dimethyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethane-1,2-diamine
CID 16774222

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-butan-2-yl-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine (CID 79502113) is 1-butan-2-yl-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-butan-2-yl-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-butan-2-yl-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine is CCC(C)N1C(N)=NCC1c1ccc(SC(F)(F)F)cc1.
What is the InChIKey of 1-butan-2-yl-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine?
The InChIKey is XRRZZQLLPWZXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3S/c1-3-9(2)20-12(8-19-13(20)18)10-4-6-11(7-5-10)21-14(15,16)17/h4-7,9,12H,3,8H2,1-2H3,(H2,18,19).
What are the key properties of 1-butan-2-yl-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine?
1-butan-2-yl-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine has a molecular weight of 317.38 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79502113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).