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

C10H14F3N3 — CID 58617553

IUPAC4-ethyl-1-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCCC1NCCc2c1nc(C(F)(F)F)n2C
InChIInChI=1S/C10H14F3N3/c1-3-6-8-7(4-5-14-6)16(2)9(15-8)10(11,12)13/h6,14H,3-5H2,1-2H3
InChIKeyOOLSNRGIWHJJQX-UHFFFAOYSA-N
MW233.24 g/mol
LogP2.04
Rot. Bonds1

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

4-ethyl-1-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 58617553) has the molecular formula C10H14F3N3 and a molecular weight of 233.24 g/mol. Its IUPAC name is 4-ethyl-1-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name4-ethyl-1-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID58617553
Molecular FormulaC10H14F3N3
Molecular Weight233.24 g/mol
Exact Mass233.11
IUPAC Name4-ethyl-1-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCCC1NCCc2c1nc(C(F)(F)F)n2C
InChIInChI=1S/C10H14F3N3/c1-3-6-8-7(4-5-14-6)16(2)9(15-8)10(11,12)13/h6,14H,3-5H2,1-2H3
InChIKeyOOLSNRGIWHJJQX-UHFFFAOYSA-N
XLogP2.04
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 4-ethyl-1-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 58617553) is 4-ethyl-1-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 4-ethyl-1-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 4-ethyl-1-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is CCC1NCCc2c1nc(C(F)(F)F)n2C.
What is the InChIKey of 4-ethyl-1-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is OOLSNRGIWHJJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3/c1-3-6-8-7(4-5-14-6)16(2)9(15-8)10(11,12)13/h6,14H,3-5H2,1-2H3.
What are the key properties of 4-ethyl-1-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
4-ethyl-1-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 233.24 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 58617553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).