1-(3-methylsulfonylpropyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

C11H16F3N3O2S — CID 64856984

IUPAC1-(3-methylsulfonylpropyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCS(=O)(=O)CCCn1c(C(F)(F)F)nc2c1CCNC2
InChIInChI=1S/C11H16F3N3O2S/c1-20(18,19)6-2-5-17-9-3-4-15-7-8(9)16-10(17)11(12,13)14/h15H,2-7H2,1H3
InChIKeyOSPWMWNLJPXLSM-UHFFFAOYSA-N
MW311.33 g/mol
LogP0.98
Rot. Bonds4

About 1-(3-methylsulfonylpropyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

1-(3-methylsulfonylpropyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 64856984) has the molecular formula C11H16F3N3O2S and a molecular weight of 311.33 g/mol. Its IUPAC name is 1-(3-methylsulfonylpropyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-(3-methylsulfonylpropyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID64856984
Molecular FormulaC11H16F3N3O2S
Molecular Weight311.33 g/mol
Exact Mass311.09
IUPAC Name1-(3-methylsulfonylpropyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCS(=O)(=O)CCCn1c(C(F)(F)F)nc2c1CCNC2
InChIInChI=1S/C11H16F3N3O2S/c1-20(18,19)6-2-5-17-9-3-4-15-7-8(9)16-10(17)11(12,13)14/h15H,2-7H2,1H3
InChIKeyOSPWMWNLJPXLSM-UHFFFAOYSA-N
XLogP0.98
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylsulfonylpropyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 1-(3-methylsulfonylpropyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 64856984) is 1-(3-methylsulfonylpropyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 1-(3-methylsulfonylpropyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 1-(3-methylsulfonylpropyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is CS(=O)(=O)CCCn1c(C(F)(F)F)nc2c1CCNC2.
What is the InChIKey of 1-(3-methylsulfonylpropyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is OSPWMWNLJPXLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O2S/c1-20(18,19)6-2-5-17-9-3-4-15-7-8(9)16-10(17)11(12,13)14/h15H,2-7H2,1H3.
What are the key properties of 1-(3-methylsulfonylpropyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
1-(3-methylsulfonylpropyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 311.33 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylsulfonylpropyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 64856984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).