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

C10H14F3N3 — CID 64859131

IUPAC2-methyl-1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCc1nc2c(n1CCC(F)(F)F)CCNC2
InChIInChI=1S/C10H14F3N3/c1-7-15-8-6-14-4-2-9(8)16(7)5-3-10(11,12)13/h14H,2-6H2,1H3
InChIKeyCXFZMCJBFCANIS-UHFFFAOYSA-N
MW233.24 g/mol
LogP1.79
Rot. Bonds2

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

2-methyl-1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 64859131) has the molecular formula C10H14F3N3 and a molecular weight of 233.24 g/mol. Its IUPAC name is 2-methyl-1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-methyl-1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID64859131
Molecular FormulaC10H14F3N3
Molecular Weight233.24 g/mol
Exact Mass233.11
IUPAC Name2-methyl-1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCc1nc2c(n1CCC(F)(F)F)CCNC2
InChIInChI=1S/C10H14F3N3/c1-7-15-8-6-14-4-2-9(8)16(7)5-3-10(11,12)13/h14H,2-6H2,1H3
InChIKeyCXFZMCJBFCANIS-UHFFFAOYSA-N
XLogP1.79
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 2-methyl-1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 64859131) is 2-methyl-1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 2-methyl-1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 2-methyl-1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is Cc1nc2c(n1CCC(F)(F)F)CCNC2.
What is the InChIKey of 2-methyl-1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is CXFZMCJBFCANIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3/c1-7-15-8-6-14-4-2-9(8)16(7)5-3-10(11,12)13/h14H,2-6H2,1H3.
What are the key properties of 2-methyl-1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
2-methyl-1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 233.24 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 64859131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).