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

C14H18F3N3S — CID 79496742

IUPAC1-(2-methylpropyl)-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine
SMILESCC(C)CN1C(N)=NCC1c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C14H18F3N3S/c1-9(2)8-20-12(7-19-13(20)18)10-3-5-11(6-4-10)21-14(15,16)17/h3-6,9,12H,7-8H2,1-2H3,(H2,18,19)
InChIKeyCWMLRPMMHMXMJS-UHFFFAOYSA-N
MW317.38 g/mol
LogP3.63
Rot. Bonds4

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

1-(2-methylpropyl)-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine (PubChem CID 79496742) has the molecular formula C14H18F3N3S and a molecular weight of 317.38 g/mol. Its IUPAC name is 1-(2-methylpropyl)-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-(2-methylpropyl)-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine
PubChem CID79496742
Molecular FormulaC14H18F3N3S
Molecular Weight317.38 g/mol
Exact Mass317.12
IUPAC Name1-(2-methylpropyl)-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine
SMILESCC(C)CN1C(N)=NCC1c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C14H18F3N3S/c1-9(2)8-20-12(7-19-13(20)18)10-3-5-11(6-4-10)21-14(15,16)17/h3-6,9,12H,7-8H2,1-2H3,(H2,18,19)
InChIKeyCWMLRPMMHMXMJS-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-(2-methylpropyl)-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine (CID 79496742) is 1-(2-methylpropyl)-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-(2-methylpropyl)-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-(2-methylpropyl)-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine is CC(C)CN1C(N)=NCC1c1ccc(SC(F)(F)F)cc1.
What is the InChIKey of 1-(2-methylpropyl)-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine?
The InChIKey is CWMLRPMMHMXMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3S/c1-9(2)8-20-12(7-19-13(20)18)10-3-5-11(6-4-10)21-14(15,16)17/h3-6,9,12H,7-8H2,1-2H3,(H2,18,19).
What are the key properties of 1-(2-methylpropyl)-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine?
1-(2-methylpropyl)-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine has a molecular weight of 317.38 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79496742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).