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

C11H16F3N3O2S — CID 64858766

IUPAC1-(1-methylsulfonylpropan-2-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCC(CS(C)(=O)=O)n1c(C(F)(F)F)nc2c1CCNC2
InChIInChI=1S/C11H16F3N3O2S/c1-7(6-20(2,18)19)17-9-3-4-15-5-8(9)16-10(17)11(12,13)14/h7,15H,3-6H2,1-2H3
InChIKeyXPLVUNGYWPKWTJ-UHFFFAOYSA-N
MW311.33 g/mol
LogP1.15
Rot. Bonds3

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

1-(1-methylsulfonylpropan-2-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 64858766) has the molecular formula C11H16F3N3O2S and a molecular weight of 311.33 g/mol. Its IUPAC name is 1-(1-methylsulfonylpropan-2-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-(1-methylsulfonylpropan-2-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID64858766
Molecular FormulaC11H16F3N3O2S
Molecular Weight311.33 g/mol
Exact Mass311.09
IUPAC Name1-(1-methylsulfonylpropan-2-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCC(CS(C)(=O)=O)n1c(C(F)(F)F)nc2c1CCNC2
InChIInChI=1S/C11H16F3N3O2S/c1-7(6-20(2,18)19)17-9-3-4-15-5-8(9)16-10(17)11(12,13)14/h7,15H,3-6H2,1-2H3
InChIKeyXPLVUNGYWPKWTJ-UHFFFAOYSA-N
XLogP1.15
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(1-methylsulfonylpropan-2-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopropyl-5-(2-methylsulfonylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 53562889
1-cyclopropyl-5-(2-propan-2-ylsulfonylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 75376864
3-Methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydro-3h-imidazo[4,5-c]pyridine
CID 45096982
1-Methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 58617555
1,4-Dimethyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 58617565
3-Methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine;dihydrochloride
CID 131884213
2-(1,1-Difluoropropyl)-1-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 138670264
1-Methyl-2-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 138670623
3-Tert-butyl-1-(1,1-difluoroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine
CID 160044609
1-(1,1-Difluoroethyl)-3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine
CID 169945026
1-(3-Methylbutyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64856519
1-Butan-2-yl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64856527

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylsulfonylpropan-2-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 1-(1-methylsulfonylpropan-2-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 64858766) is 1-(1-methylsulfonylpropan-2-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 1-(1-methylsulfonylpropan-2-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 1-(1-methylsulfonylpropan-2-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is CC(CS(C)(=O)=O)n1c(C(F)(F)F)nc2c1CCNC2.
What is the InChIKey of 1-(1-methylsulfonylpropan-2-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is XPLVUNGYWPKWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O2S/c1-7(6-20(2,18)19)17-9-3-4-15-5-8(9)16-10(17)11(12,13)14/h7,15H,3-6H2,1-2H3.
What are the key properties of 1-(1-methylsulfonylpropan-2-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
1-(1-methylsulfonylpropan-2-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 311.33 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylsulfonylpropan-2-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 64858766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).