2-[4-(diethoxymethyl)-2-fluorophenyl]imidazo[1,2-a]pyridine

C18H19FN2O2 — CID 59651846

IUPAC2-[4-(diethoxymethyl)-2-fluorophenyl]imidazo[1,2-a]pyridine
SMILESCCOC(OCC)c1ccc(-c2cn3ccccc3n2)c(F)c1
InChIInChI=1S/C18H19FN2O2/c1-3-22-18(23-4-2)13-8-9-14(15(19)11-13)16-12-21-10-6-5-7-17(21)20-16/h5-12,18H,3-4H2,1-2H3
InChIKeyHYIKJPFXGCHGHW-UHFFFAOYSA-N
MW314.36 g/mol
LogP4.21
Rot. Bonds6

About 2-[4-(diethoxymethyl)-2-fluorophenyl]imidazo[1,2-a]pyridine

2-[4-(diethoxymethyl)-2-fluorophenyl]imidazo[1,2-a]pyridine (PubChem CID 59651846) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is 2-[4-(diethoxymethyl)-2-fluorophenyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[4-(diethoxymethyl)-2-fluorophenyl]imidazo[1,2-a]pyridine
PubChem CID59651846
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC Name2-[4-(diethoxymethyl)-2-fluorophenyl]imidazo[1,2-a]pyridine
SMILESCCOC(OCC)c1ccc(-c2cn3ccccc3n2)c(F)c1
InChIInChI=1S/C18H19FN2O2/c1-3-22-18(23-4-2)13-8-9-14(15(19)11-13)16-12-21-10-6-5-7-17(21)20-16/h5-12,18H,3-4H2,1-2H3
InChIKeyHYIKJPFXGCHGHW-UHFFFAOYSA-N
XLogP4.21
TPSA35.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2-[4-(diethoxymethyl)-2-fluorophenyl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-[4-(diethoxymethyl)-2-fluorophenyl]imidazo[1,2-a]pyridine (CID 59651846) is 2-[4-(diethoxymethyl)-2-fluorophenyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[4-(diethoxymethyl)-2-fluorophenyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-[4-(diethoxymethyl)-2-fluorophenyl]imidazo[1,2-a]pyridine is CCOC(OCC)c1ccc(-c2cn3ccccc3n2)c(F)c1.
What is the InChIKey of 2-[4-(diethoxymethyl)-2-fluorophenyl]imidazo[1,2-a]pyridine?
The InChIKey is HYIKJPFXGCHGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-3-22-18(23-4-2)13-8-9-14(15(19)11-13)16-12-21-10-6-5-7-17(21)20-16/h5-12,18H,3-4H2,1-2H3.
What are the key properties of 2-[4-(diethoxymethyl)-2-fluorophenyl]imidazo[1,2-a]pyridine?
2-[4-(diethoxymethyl)-2-fluorophenyl]imidazo[1,2-a]pyridine has a molecular weight of 314.36 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethoxymethyl)-2-fluorophenyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 59651846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).