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

C13H14F3N3S — CID 79509328

IUPAC1-cyclopropyl-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(c2ccc(SC(F)(F)F)cc2)N1C1CC1
InChIInChI=1S/C13H14F3N3S/c14-13(15,16)20-10-5-1-8(2-6-10)11-7-18-12(17)19(11)9-3-4-9/h1-2,5-6,9,11H,3-4,7H2,(H2,17,18)
InChIKeyQXTOTBXCHDHOMY-UHFFFAOYSA-N
MW301.34 g/mol
LogP3.13
Rot. Bonds3

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

1-cyclopropyl-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine (PubChem CID 79509328) has the molecular formula C13H14F3N3S and a molecular weight of 301.34 g/mol. Its IUPAC name is 1-cyclopropyl-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine
PubChem CID79509328
Molecular FormulaC13H14F3N3S
Molecular Weight301.34 g/mol
Exact Mass301.09
IUPAC Name1-cyclopropyl-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(c2ccc(SC(F)(F)F)cc2)N1C1CC1
InChIInChI=1S/C13H14F3N3S/c14-13(15,16)20-10-5-1-8(2-6-10)11-7-18-12(17)19(11)9-3-4-9/h1-2,5-6,9,11H,3-4,7H2,(H2,17,18)
InChIKeyQXTOTBXCHDHOMY-UHFFFAOYSA-N
XLogP3.13
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-cyclopropyl-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine (CID 79509328) is 1-cyclopropyl-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-cyclopropyl-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-cyclopropyl-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine is NC1=NCC(c2ccc(SC(F)(F)F)cc2)N1C1CC1.
What is the InChIKey of 1-cyclopropyl-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine?
The InChIKey is QXTOTBXCHDHOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3S/c14-13(15,16)20-10-5-1-8(2-6-10)11-7-18-12(17)19(11)9-3-4-9/h1-2,5-6,9,11H,3-4,7H2,(H2,17,18).
What are the key properties of 1-cyclopropyl-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine?
1-cyclopropyl-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine has a molecular weight of 301.34 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79509328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).