2-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

C12H18F3N3O — CID 64856772

IUPAC2-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCCc1nc2c(n1CCOCC(F)(F)F)CCNC2
InChIInChI=1S/C12H18F3N3O/c1-2-11-17-9-7-16-4-3-10(9)18(11)5-6-19-8-12(13,14)15/h16H,2-8H2,1H3
InChIKeyJDZKNWSEQRTAHH-UHFFFAOYSA-N
MW277.29 g/mol
LogP1.67
Rot. Bonds5

About 2-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

2-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 64856772) has the molecular formula C12H18F3N3O and a molecular weight of 277.29 g/mol. Its IUPAC name is 2-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID64856772
Molecular FormulaC12H18F3N3O
Molecular Weight277.29 g/mol
Exact Mass277.14
IUPAC Name2-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCCc1nc2c(n1CCOCC(F)(F)F)CCNC2
InChIInChI=1S/C12H18F3N3O/c1-2-11-17-9-7-16-4-3-10(9)18(11)5-6-19-8-12(13,14)15/h16H,2-8H2,1H3
InChIKeyJDZKNWSEQRTAHH-UHFFFAOYSA-N
XLogP1.67
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 2-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 64856772) is 2-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 2-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 2-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is CCc1nc2c(n1CCOCC(F)(F)F)CCNC2.
What is the InChIKey of 2-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is JDZKNWSEQRTAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O/c1-2-11-17-9-7-16-4-3-10(9)18(11)5-6-19-8-12(13,14)15/h16H,2-8H2,1H3.
What are the key properties of 2-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
2-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 277.29 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 64856772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).