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

C12H18F3N3O — CID 64856790

IUPAC1-(4-methoxybutyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCOCCCCn1c(C(F)(F)F)nc2c1CCNC2
InChIInChI=1S/C12H18F3N3O/c1-19-7-3-2-6-18-10-4-5-16-8-9(10)17-11(18)12(13,14)15/h16H,2-8H2,1H3
InChIKeyMOHQTFSZPIDARF-UHFFFAOYSA-N
MW277.29 g/mol
LogP1.97
Rot. Bonds5

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

1-(4-methoxybutyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 64856790) has the molecular formula C12H18F3N3O and a molecular weight of 277.29 g/mol. Its IUPAC name is 1-(4-methoxybutyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-(4-methoxybutyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID64856790
Molecular FormulaC12H18F3N3O
Molecular Weight277.29 g/mol
Exact Mass277.14
IUPAC Name1-(4-methoxybutyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCOCCCCn1c(C(F)(F)F)nc2c1CCNC2
InChIInChI=1S/C12H18F3N3O/c1-19-7-3-2-6-18-10-4-5-16-8-9(10)17-11(18)12(13,14)15/h16H,2-8H2,1H3
InChIKeyMOHQTFSZPIDARF-UHFFFAOYSA-N
XLogP1.97
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 51.97
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 1-(4-methoxybutyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 1-(4-methoxybutyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 64856790) is 1-(4-methoxybutyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 1-(4-methoxybutyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 1-(4-methoxybutyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is COCCCCn1c(C(F)(F)F)nc2c1CCNC2.
What is the InChIKey of 1-(4-methoxybutyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is MOHQTFSZPIDARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O/c1-19-7-3-2-6-18-10-4-5-16-8-9(10)17-11(18)12(13,14)15/h16H,2-8H2,1H3.
What are the key properties of 1-(4-methoxybutyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
1-(4-methoxybutyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 277.29 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxybutyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 64856790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).