2-cyclopropyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

C13H18F3N3O — CID 64856969

IUPAC2-cyclopropyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESFC(F)(F)COCCn1c(C2CC2)nc2c1CCNC2
InChIInChI=1S/C13H18F3N3O/c14-13(15,16)8-20-6-5-19-11-3-4-17-7-10(11)18-12(19)9-1-2-9/h9,17H,1-8H2
InChIKeyPZMYXAIMQZBKRM-UHFFFAOYSA-N
MW289.30 g/mol
LogP1.99
Rot. Bonds5

About 2-cyclopropyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

2-cyclopropyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 64856969) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is 2-cyclopropyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-cyclopropyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID64856969
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC Name2-cyclopropyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESFC(F)(F)COCCn1c(C2CC2)nc2c1CCNC2
InChIInChI=1S/C13H18F3N3O/c14-13(15,16)8-20-6-5-19-11-3-4-17-7-10(11)18-12(19)9-1-2-9/h9,17H,1-8H2
InChIKeyPZMYXAIMQZBKRM-UHFFFAOYSA-N
XLogP1.99
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 2-cyclopropyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 64856969) is 2-cyclopropyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 2-cyclopropyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 2-cyclopropyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is FC(F)(F)COCCn1c(C2CC2)nc2c1CCNC2.
What is the InChIKey of 2-cyclopropyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is PZMYXAIMQZBKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O/c14-13(15,16)8-20-6-5-19-11-3-4-17-7-10(11)18-12(19)9-1-2-9/h9,17H,1-8H2.
What are the key properties of 2-cyclopropyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
2-cyclopropyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 289.30 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 64856969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).