2-propyl-5-(2,2,2-trifluoroethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine

C11H16F3N3 — CID 166883881

IUPAC2-propyl-5-(2,2,2-trifluoroethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCCCc1nc2c([nH]1)CN(CC(F)(F)F)CC2
InChIInChI=1S/C11H16F3N3/c1-2-3-10-15-8-4-5-17(6-9(8)16-10)7-11(12,13)14/h2-7H2,1H3,(H,15,16)
InChIKeyVYHUHOVGNDXKGS-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.28
Rot. Bonds3

About 2-propyl-5-(2,2,2-trifluoroethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine

2-propyl-5-(2,2,2-trifluoroethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 166883881) has the molecular formula C11H16F3N3 and a molecular weight of 247.26 g/mol. Its IUPAC name is 2-propyl-5-(2,2,2-trifluoroethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-propyl-5-(2,2,2-trifluoroethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID166883881
Molecular FormulaC11H16F3N3
Molecular Weight247.26 g/mol
Exact Mass247.13
IUPAC Name2-propyl-5-(2,2,2-trifluoroethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCCCc1nc2c([nH]1)CN(CC(F)(F)F)CC2
InChIInChI=1S/C11H16F3N3/c1-2-3-10-15-8-4-5-17(6-9(8)16-10)7-11(12,13)14/h2-7H2,1H3,(H,15,16)
InChIKeyVYHUHOVGNDXKGS-UHFFFAOYSA-N
XLogP2.28
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-5-(2,2,2-trifluoroethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 2-propyl-5-(2,2,2-trifluoroethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 166883881) is 2-propyl-5-(2,2,2-trifluoroethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 2-propyl-5-(2,2,2-trifluoroethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 2-propyl-5-(2,2,2-trifluoroethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine is CCCc1nc2c([nH]1)CN(CC(F)(F)F)CC2.
What is the InChIKey of 2-propyl-5-(2,2,2-trifluoroethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is VYHUHOVGNDXKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3/c1-2-3-10-15-8-4-5-17(6-9(8)16-10)7-11(12,13)14/h2-7H2,1H3,(H,15,16).
What are the key properties of 2-propyl-5-(2,2,2-trifluoroethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
2-propyl-5-(2,2,2-trifluoroethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 247.26 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-5-(2,2,2-trifluoroethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 166883881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).