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

C11H16F3N3O — CID 64857163

IUPAC2-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCc1nc2c(n1CCOCC(F)(F)F)CCNC2
InChIInChI=1S/C11H16F3N3O/c1-8-16-9-6-15-3-2-10(9)17(8)4-5-18-7-11(12,13)14/h15H,2-7H2,1H3
InChIKeyDUPFOSUKVKISOB-UHFFFAOYSA-N
MW263.26 g/mol
LogP1.42
Rot. Bonds4

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

2-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 64857163) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is 2-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID64857163
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name2-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCc1nc2c(n1CCOCC(F)(F)F)CCNC2
InChIInChI=1S/C11H16F3N3O/c1-8-16-9-6-15-3-2-10(9)17(8)4-5-18-7-11(12,13)14/h15H,2-7H2,1H3
InChIKeyDUPFOSUKVKISOB-UHFFFAOYSA-N
XLogP1.42
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 51.42
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-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 2-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 64857163) is 2-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 2-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 2-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is Cc1nc2c(n1CCOCC(F)(F)F)CCNC2.
What is the InChIKey of 2-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is DUPFOSUKVKISOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-8-16-9-6-15-3-2-10(9)17(8)4-5-18-7-11(12,13)14/h15H,2-7H2,1H3.
What are the key properties of 2-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
2-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 263.26 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 64857163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).