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

C25H25FN2O2 — CID 67091800

IUPAC6-benzyl-2-[4-(diethoxymethyl)-2-fluorophenyl]imidazo[1,2-a]pyridine
SMILESCCOC(OCC)c1ccc(-c2cn3cc(Cc4ccccc4)ccc3n2)c(F)c1
InChIInChI=1S/C25H25FN2O2/c1-3-29-25(30-4-2)20-11-12-21(22(26)15-20)23-17-28-16-19(10-13-24(28)27-23)14-18-8-6-5-7-9-18/h5-13,15-17,25H,3-4,14H2,1-2H3
InChIKeyLXOAYBRRFJMSDP-UHFFFAOYSA-N
MW404.49 g/mol
LogP5.80
Rot. Bonds8

About 6-benzyl-2-[4-(diethoxymethyl)-2-fluorophenyl]imidazo[1,2-a]pyridine

6-benzyl-2-[4-(diethoxymethyl)-2-fluorophenyl]imidazo[1,2-a]pyridine (PubChem CID 67091800) has the molecular formula C25H25FN2O2 and a molecular weight of 404.49 g/mol. Its IUPAC name is 6-benzyl-2-[4-(diethoxymethyl)-2-fluorophenyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-benzyl-2-[4-(diethoxymethyl)-2-fluorophenyl]imidazo[1,2-a]pyridine
PubChem CID67091800
Molecular FormulaC25H25FN2O2
Molecular Weight404.49 g/mol
Exact Mass404.19
IUPAC Name6-benzyl-2-[4-(diethoxymethyl)-2-fluorophenyl]imidazo[1,2-a]pyridine
SMILESCCOC(OCC)c1ccc(-c2cn3cc(Cc4ccccc4)ccc3n2)c(F)c1
InChIInChI=1S/C25H25FN2O2/c1-3-29-25(30-4-2)20-11-12-21(22(26)15-20)23-17-28-16-19(10-13-24(28)27-23)14-18-8-6-5-7-9-18/h5-13,15-17,25H,3-4,14H2,1-2H3
InChIKeyLXOAYBRRFJMSDP-UHFFFAOYSA-N
XLogP5.80
TPSA35.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.49
LogP ≤ 55.80
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 6-benzyl-2-[4-(diethoxymethyl)-2-fluorophenyl]imidazo[1,2-a]pyridine?
The IUPAC name of 6-benzyl-2-[4-(diethoxymethyl)-2-fluorophenyl]imidazo[1,2-a]pyridine (CID 67091800) is 6-benzyl-2-[4-(diethoxymethyl)-2-fluorophenyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-benzyl-2-[4-(diethoxymethyl)-2-fluorophenyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 6-benzyl-2-[4-(diethoxymethyl)-2-fluorophenyl]imidazo[1,2-a]pyridine is CCOC(OCC)c1ccc(-c2cn3cc(Cc4ccccc4)ccc3n2)c(F)c1.
What is the InChIKey of 6-benzyl-2-[4-(diethoxymethyl)-2-fluorophenyl]imidazo[1,2-a]pyridine?
The InChIKey is LXOAYBRRFJMSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O2/c1-3-29-25(30-4-2)20-11-12-21(22(26)15-20)23-17-28-16-19(10-13-24(28)27-23)14-18-8-6-5-7-9-18/h5-13,15-17,25H,3-4,14H2,1-2H3.
What are the key properties of 6-benzyl-2-[4-(diethoxymethyl)-2-fluorophenyl]imidazo[1,2-a]pyridine?
6-benzyl-2-[4-(diethoxymethyl)-2-fluorophenyl]imidazo[1,2-a]pyridine has a molecular weight of 404.49 g/mol, XLogP of 5.80, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-2-[4-(diethoxymethyl)-2-fluorophenyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 67091800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).