3-[methyl-[[3-methyl-2-(trifluoromethylsulfanyl)imidazol-4-yl]methyl]amino]propan-1-ol

C10H16F3N3OS — CID 126841707

IUPAC3-[methyl-[[3-methyl-2-(trifluoromethylsulfanyl)imidazol-4-yl]methyl]amino]propan-1-ol
SMILESCN(CCCO)Cc1cnc(SC(F)(F)F)n1C
InChIInChI=1S/C10H16F3N3OS/c1-15(4-3-5-17)7-8-6-14-9(16(8)2)18-10(11,12)13/h6,17H,3-5,7H2,1-2H3
InChIKeyNZIPTGXTKIYUBT-UHFFFAOYSA-N
MW283.32 g/mol
LogP1.85
Rot. Bonds6

About 3-[methyl-[[3-methyl-2-(trifluoromethylsulfanyl)imidazol-4-yl]methyl]amino]propan-1-ol

3-[methyl-[[3-methyl-2-(trifluoromethylsulfanyl)imidazol-4-yl]methyl]amino]propan-1-ol (PubChem CID 126841707) has the molecular formula C10H16F3N3OS and a molecular weight of 283.32 g/mol. Its IUPAC name is 3-[methyl-[[3-methyl-2-(trifluoromethylsulfanyl)imidazol-4-yl]methyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[methyl-[[3-methyl-2-(trifluoromethylsulfanyl)imidazol-4-yl]methyl]amino]propan-1-ol
PubChem CID126841707
Molecular FormulaC10H16F3N3OS
Molecular Weight283.32 g/mol
Exact Mass283.10
IUPAC Name3-[methyl-[[3-methyl-2-(trifluoromethylsulfanyl)imidazol-4-yl]methyl]amino]propan-1-ol
SMILESCN(CCCO)Cc1cnc(SC(F)(F)F)n1C
InChIInChI=1S/C10H16F3N3OS/c1-15(4-3-5-17)7-8-6-14-9(16(8)2)18-10(11,12)13/h6,17H,3-5,7H2,1-2H3
InChIKeyNZIPTGXTKIYUBT-UHFFFAOYSA-N
XLogP1.85
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[[3-methyl-2-(trifluoromethylsulfanyl)imidazol-4-yl]methyl]amino]propan-1-ol?
The IUPAC name of 3-[methyl-[[3-methyl-2-(trifluoromethylsulfanyl)imidazol-4-yl]methyl]amino]propan-1-ol (CID 126841707) is 3-[methyl-[[3-methyl-2-(trifluoromethylsulfanyl)imidazol-4-yl]methyl]amino]propan-1-ol.
What is the SMILES notation for 3-[methyl-[[3-methyl-2-(trifluoromethylsulfanyl)imidazol-4-yl]methyl]amino]propan-1-ol?
The canonical SMILES for 3-[methyl-[[3-methyl-2-(trifluoromethylsulfanyl)imidazol-4-yl]methyl]amino]propan-1-ol is CN(CCCO)Cc1cnc(SC(F)(F)F)n1C.
What is the InChIKey of 3-[methyl-[[3-methyl-2-(trifluoromethylsulfanyl)imidazol-4-yl]methyl]amino]propan-1-ol?
The InChIKey is NZIPTGXTKIYUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3OS/c1-15(4-3-5-17)7-8-6-14-9(16(8)2)18-10(11,12)13/h6,17H,3-5,7H2,1-2H3.
What are the key properties of 3-[methyl-[[3-methyl-2-(trifluoromethylsulfanyl)imidazol-4-yl]methyl]amino]propan-1-ol?
3-[methyl-[[3-methyl-2-(trifluoromethylsulfanyl)imidazol-4-yl]methyl]amino]propan-1-ol has a molecular weight of 283.32 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[[3-methyl-2-(trifluoromethylsulfanyl)imidazol-4-yl]methyl]amino]propan-1-ol is sourced from PubChem (CID 126841707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).