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

C11H16F3N3 — CID 64856527

IUPAC1-butan-2-yl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCCC(C)n1c(C(F)(F)F)nc2c1CCNC2
InChIInChI=1S/C11H16F3N3/c1-3-7(2)17-9-4-5-15-6-8(9)16-10(17)11(12,13)14/h7,15H,3-6H2,1-2H3
InChIKeyCMPIDANEKHZMGM-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.52
Rot. Bonds2

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

1-butan-2-yl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 64856527) has the molecular formula C11H16F3N3 and a molecular weight of 247.26 g/mol. Its IUPAC name is 1-butan-2-yl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-butan-2-yl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID64856527
Molecular FormulaC11H16F3N3
Molecular Weight247.26 g/mol
Exact Mass247.13
IUPAC Name1-butan-2-yl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCCC(C)n1c(C(F)(F)F)nc2c1CCNC2
InChIInChI=1S/C11H16F3N3/c1-3-7(2)17-9-4-5-15-6-8(9)16-10(17)11(12,13)14/h7,15H,3-6H2,1-2H3
InChIKeyCMPIDANEKHZMGM-UHFFFAOYSA-N
XLogP2.52
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 1-butan-2-yl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 64856527) is 1-butan-2-yl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 1-butan-2-yl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 1-butan-2-yl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is CCC(C)n1c(C(F)(F)F)nc2c1CCNC2.
What is the InChIKey of 1-butan-2-yl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is CMPIDANEKHZMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3/c1-3-7(2)17-9-4-5-15-6-8(9)16-10(17)11(12,13)14/h7,15H,3-6H2,1-2H3.
What are the key properties of 1-butan-2-yl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
1-butan-2-yl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 247.26 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 64856527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).