2-(2,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine

C12H14F3N3OS — CID 141359819

IUPAC2-(2,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine
SMILESCc1c(OCC(F)(F)F)ccnc1CSC1N=CCN1
InChIInChI=1S/C12H14F3N3OS/c1-8-9(6-20-11-17-4-5-18-11)16-3-2-10(8)19-7-12(13,14)15/h2-4,11,18H,5-7H2,1H3
InChIKeyOXVFPNNXZIYJKB-UHFFFAOYSA-N
MW305.33 g/mol
LogP2.52
Rot. Bonds5

About 2-(2,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine

2-(2,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine (PubChem CID 141359819) has the molecular formula C12H14F3N3OS and a molecular weight of 305.33 g/mol. Its IUPAC name is 2-(2,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine.

Molecular Properties

Compound Name2-(2,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine
PubChem CID141359819
Molecular FormulaC12H14F3N3OS
Molecular Weight305.33 g/mol
Exact Mass305.08
IUPAC Name2-(2,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine
SMILESCc1c(OCC(F)(F)F)ccnc1CSC1N=CCN1
InChIInChI=1S/C12H14F3N3OS/c1-8-9(6-20-11-17-4-5-18-11)16-3-2-10(8)19-7-12(13,14)15/h2-4,11,18H,5-7H2,1H3
InChIKeyOXVFPNNXZIYJKB-UHFFFAOYSA-N
XLogP2.52
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine?
The IUPAC name of 2-(2,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine (CID 141359819) is 2-(2,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine.
What is the SMILES notation for 2-(2,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine?
The canonical SMILES for 2-(2,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine is Cc1c(OCC(F)(F)F)ccnc1CSC1N=CCN1.
What is the InChIKey of 2-(2,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine?
The InChIKey is OXVFPNNXZIYJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3OS/c1-8-9(6-20-11-17-4-5-18-11)16-3-2-10(8)19-7-12(13,14)15/h2-4,11,18H,5-7H2,1H3.
What are the key properties of 2-(2,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine?
2-(2,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine has a molecular weight of 305.33 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine is sourced from PubChem (CID 141359819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).