1-(oxan-2-ylmethyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

C13H18F3N3O — CID 64859528

IUPAC1-(oxan-2-ylmethyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESFC(F)(F)c1nc2c(n1CC1CCCCO1)CCNC2
InChIInChI=1S/C13H18F3N3O/c14-13(15,16)12-18-10-7-17-5-4-11(10)19(12)8-9-3-1-2-6-20-9/h9,17H,1-8H2
InChIKeyGEISFAKHYIFLON-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.12
Rot. Bonds2

About 1-(oxan-2-ylmethyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

1-(oxan-2-ylmethyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 64859528) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is 1-(oxan-2-ylmethyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-(oxan-2-ylmethyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID64859528
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC Name1-(oxan-2-ylmethyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESFC(F)(F)c1nc2c(n1CC1CCCCO1)CCNC2
InChIInChI=1S/C13H18F3N3O/c14-13(15,16)12-18-10-7-17-5-4-11(10)19(12)8-9-3-1-2-6-20-9/h9,17H,1-8H2
InChIKeyGEISFAKHYIFLON-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-2-ylmethyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 1-(oxan-2-ylmethyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 64859528) is 1-(oxan-2-ylmethyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 1-(oxan-2-ylmethyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 1-(oxan-2-ylmethyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is FC(F)(F)c1nc2c(n1CC1CCCCO1)CCNC2.
What is the InChIKey of 1-(oxan-2-ylmethyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is GEISFAKHYIFLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O/c14-13(15,16)12-18-10-7-17-5-4-11(10)19(12)8-9-3-1-2-6-20-9/h9,17H,1-8H2.
What are the key properties of 1-(oxan-2-ylmethyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
1-(oxan-2-ylmethyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 289.30 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-2-ylmethyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 64859528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).