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

C13H18F3N3O — CID 64859097

IUPAC1-[1-(oxolan-2-yl)ethyl]-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCC(C1CCCO1)n1c(C(F)(F)F)nc2c1CCNC2
InChIInChI=1S/C13H18F3N3O/c1-8(11-3-2-6-20-11)19-10-4-5-17-7-9(10)18-12(19)13(14,15)16/h8,11,17H,2-7H2,1H3
InChIKeyKTNWPLVVGCEUNL-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.29
Rot. Bonds2

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

1-[1-(oxolan-2-yl)ethyl]-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 64859097) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is 1-[1-(oxolan-2-yl)ethyl]-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-[1-(oxolan-2-yl)ethyl]-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID64859097
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC Name1-[1-(oxolan-2-yl)ethyl]-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCC(C1CCCO1)n1c(C(F)(F)F)nc2c1CCNC2
InChIInChI=1S/C13H18F3N3O/c1-8(11-3-2-6-20-11)19-10-4-5-17-7-9(10)18-12(19)13(14,15)16/h8,11,17H,2-7H2,1H3
InChIKeyKTNWPLVVGCEUNL-UHFFFAOYSA-N
XLogP2.29
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(oxolan-2-yl)ethyl]-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 1-[1-(oxolan-2-yl)ethyl]-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 64859097) is 1-[1-(oxolan-2-yl)ethyl]-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 1-[1-(oxolan-2-yl)ethyl]-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 1-[1-(oxolan-2-yl)ethyl]-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is CC(C1CCCO1)n1c(C(F)(F)F)nc2c1CCNC2.
What is the InChIKey of 1-[1-(oxolan-2-yl)ethyl]-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is KTNWPLVVGCEUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O/c1-8(11-3-2-6-20-11)19-10-4-5-17-7-9(10)18-12(19)13(14,15)16/h8,11,17H,2-7H2,1H3.
What are the key properties of 1-[1-(oxolan-2-yl)ethyl]-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
1-[1-(oxolan-2-yl)ethyl]-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 289.30 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(oxolan-2-yl)ethyl]-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 64859097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).