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

C14H22F3N3O — CID 64856967

IUPAC2-(2-methylpropyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCC(C)Cc1nc2c(n1CCOCC(F)(F)F)CCNC2
InChIInChI=1S/C14H22F3N3O/c1-10(2)7-13-19-11-8-18-4-3-12(11)20(13)5-6-21-9-14(15,16)17/h10,18H,3-9H2,1-2H3
InChIKeyKNCXRPRHNWMTAU-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.31
Rot. Bonds6

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

2-(2-methylpropyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 64856967) has the molecular formula C14H22F3N3O and a molecular weight of 305.34 g/mol. Its IUPAC name is 2-(2-methylpropyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(2-methylpropyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID64856967
Molecular FormulaC14H22F3N3O
Molecular Weight305.34 g/mol
Exact Mass305.17
IUPAC Name2-(2-methylpropyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCC(C)Cc1nc2c(n1CCOCC(F)(F)F)CCNC2
InChIInChI=1S/C14H22F3N3O/c1-10(2)7-13-19-11-8-18-4-3-12(11)20(13)5-6-21-9-14(15,16)17/h10,18H,3-9H2,1-2H3
InChIKeyKNCXRPRHNWMTAU-UHFFFAOYSA-N
XLogP2.31
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.31
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-(2-methylpropyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 2-(2-methylpropyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 64856967) is 2-(2-methylpropyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(2-methylpropyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 2-(2-methylpropyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is CC(C)Cc1nc2c(n1CCOCC(F)(F)F)CCNC2.
What is the InChIKey of 2-(2-methylpropyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is KNCXRPRHNWMTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3O/c1-10(2)7-13-19-11-8-18-4-3-12(11)20(13)5-6-21-9-14(15,16)17/h10,18H,3-9H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
2-(2-methylpropyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 305.34 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 64856967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).