3-[1-(2,2-dimethoxyethyl)imidazol-4-yl]pyridine

C12H15N3O2 — CID 44604866

IUPAC3-[1-(2,2-dimethoxyethyl)imidazol-4-yl]pyridine
SMILESCOC(Cn1cnc(-c2cccnc2)c1)OC
InChIInChI=1S/C12H15N3O2/c1-16-12(17-2)8-15-7-11(14-9-15)10-4-3-5-13-6-10/h3-7,9,12H,8H2,1-2H3
InChIKeyFKMOFLOEOBVLGO-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.56
Rot. Bonds5

About 3-[1-(2,2-dimethoxyethyl)imidazol-4-yl]pyridine

3-[1-(2,2-dimethoxyethyl)imidazol-4-yl]pyridine (PubChem CID 44604866) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-[1-(2,2-dimethoxyethyl)imidazol-4-yl]pyridine.

Molecular Properties

Compound Name3-[1-(2,2-dimethoxyethyl)imidazol-4-yl]pyridine
PubChem CID44604866
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name3-[1-(2,2-dimethoxyethyl)imidazol-4-yl]pyridine
SMILESCOC(Cn1cnc(-c2cccnc2)c1)OC
InChIInChI=1S/C12H15N3O2/c1-16-12(17-2)8-15-7-11(14-9-15)10-4-3-5-13-6-10/h3-7,9,12H,8H2,1-2H3
InChIKeyFKMOFLOEOBVLGO-UHFFFAOYSA-N
XLogP1.56
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,2-dimethoxyethyl)imidazol-4-yl]pyridine?
The IUPAC name of 3-[1-(2,2-dimethoxyethyl)imidazol-4-yl]pyridine (CID 44604866) is 3-[1-(2,2-dimethoxyethyl)imidazol-4-yl]pyridine.
What is the SMILES notation for 3-[1-(2,2-dimethoxyethyl)imidazol-4-yl]pyridine?
The canonical SMILES for 3-[1-(2,2-dimethoxyethyl)imidazol-4-yl]pyridine is COC(Cn1cnc(-c2cccnc2)c1)OC.
What is the InChIKey of 3-[1-(2,2-dimethoxyethyl)imidazol-4-yl]pyridine?
The InChIKey is FKMOFLOEOBVLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-16-12(17-2)8-15-7-11(14-9-15)10-4-3-5-13-6-10/h3-7,9,12H,8H2,1-2H3.
What are the key properties of 3-[1-(2,2-dimethoxyethyl)imidazol-4-yl]pyridine?
3-[1-(2,2-dimethoxyethyl)imidazol-4-yl]pyridine has a molecular weight of 233.27 g/mol, XLogP of 1.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,2-dimethoxyethyl)imidazol-4-yl]pyridine is sourced from PubChem (CID 44604866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).