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

C9H12F3N3 — CID 58617565

IUPAC1,4-dimethyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCC1NCCc2c1nc(C(F)(F)F)n2C
InChIInChI=1S/C9H12F3N3/c1-5-7-6(3-4-13-5)15(2)8(14-7)9(10,11)12/h5,13H,3-4H2,1-2H3
InChIKeyMLKUJRBBKLRNBU-UHFFFAOYSA-N
MW219.21 g/mol
LogP1.65
Rot. Bonds

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

1,4-dimethyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 58617565) has the molecular formula C9H12F3N3 and a molecular weight of 219.21 g/mol. Its IUPAC name is 1,4-dimethyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1,4-dimethyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID58617565
Molecular FormulaC9H12F3N3
Molecular Weight219.21 g/mol
Exact Mass219.10
IUPAC Name1,4-dimethyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCC1NCCc2c1nc(C(F)(F)F)n2C
InChIInChI=1S/C9H12F3N3/c1-5-7-6(3-4-13-5)15(2)8(14-7)9(10,11)12/h5,13H,3-4H2,1-2H3
InChIKeyMLKUJRBBKLRNBU-UHFFFAOYSA-N
XLogP1.65
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 1,4-dimethyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 58617565) is 1,4-dimethyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 1,4-dimethyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 1,4-dimethyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is CC1NCCc2c1nc(C(F)(F)F)n2C.
What is the InChIKey of 1,4-dimethyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is MLKUJRBBKLRNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3/c1-5-7-6(3-4-13-5)15(2)8(14-7)9(10,11)12/h5,13H,3-4H2,1-2H3.
What are the key properties of 1,4-dimethyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
1,4-dimethyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 219.21 g/mol, XLogP of 1.65, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 58617565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).