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

C10H14F3N3O2S — CID 64857090

IUPAC1-(2-methylsulfonylethyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCS(=O)(=O)CCn1c(C(F)(F)F)nc2c1CCNC2
InChIInChI=1S/C10H14F3N3O2S/c1-19(17,18)5-4-16-8-2-3-14-6-7(8)15-9(16)10(11,12)13/h14H,2-6H2,1H3
InChIKeyPZCQZKXKOAGQGM-UHFFFAOYSA-N
MW297.30 g/mol
LogP0.59
Rot. Bonds3

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

1-(2-methylsulfonylethyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 64857090) has the molecular formula C10H14F3N3O2S and a molecular weight of 297.30 g/mol. Its IUPAC name is 1-(2-methylsulfonylethyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-(2-methylsulfonylethyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID64857090
Molecular FormulaC10H14F3N3O2S
Molecular Weight297.30 g/mol
Exact Mass297.08
IUPAC Name1-(2-methylsulfonylethyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCS(=O)(=O)CCn1c(C(F)(F)F)nc2c1CCNC2
InChIInChI=1S/C10H14F3N3O2S/c1-19(17,18)5-4-16-8-2-3-14-6-7(8)15-9(16)10(11,12)13/h14H,2-6H2,1H3
InChIKeyPZCQZKXKOAGQGM-UHFFFAOYSA-N
XLogP0.59
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Butylsulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 53145325
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
1,2-Dimethyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-C]pyridine
CID 13150258
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
2,3-Dimethyl-3H,4H,5H,6H,7H-imidazo[4,5-C]pyridine
CID 72214395
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

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfonylethyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 1-(2-methylsulfonylethyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 64857090) is 1-(2-methylsulfonylethyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 1-(2-methylsulfonylethyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 1-(2-methylsulfonylethyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is CS(=O)(=O)CCn1c(C(F)(F)F)nc2c1CCNC2.
What is the InChIKey of 1-(2-methylsulfonylethyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is PZCQZKXKOAGQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2S/c1-19(17,18)5-4-16-8-2-3-14-6-7(8)15-9(16)10(11,12)13/h14H,2-6H2,1H3.
What are the key properties of 1-(2-methylsulfonylethyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
1-(2-methylsulfonylethyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 297.30 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfonylethyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 64857090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).