4-[1-(diethoxymethyl)-5-(4-fluorophenyl)imidazol-4-yl]pyridine

C19H20FN3O2 — CID 18367505

IUPAC4-[1-(diethoxymethyl)-5-(4-fluorophenyl)imidazol-4-yl]pyridine
SMILESCCOC(OCC)n1cnc(-c2ccncc2)c1-c1ccc(F)cc1
InChIInChI=1S/C19H20FN3O2/c1-3-24-19(25-4-2)23-13-22-17(14-9-11-21-12-10-14)18(23)15-5-7-16(20)8-6-15/h5-13,19H,3-4H2,1-2H3
InChIKeyRINDIXSOILAVRZ-UHFFFAOYSA-N
MW341.39 g/mol
LogP4.28
Rot. Bonds7

About 4-[1-(diethoxymethyl)-5-(4-fluorophenyl)imidazol-4-yl]pyridine

4-[1-(diethoxymethyl)-5-(4-fluorophenyl)imidazol-4-yl]pyridine (PubChem CID 18367505) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is 4-[1-(diethoxymethyl)-5-(4-fluorophenyl)imidazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[1-(diethoxymethyl)-5-(4-fluorophenyl)imidazol-4-yl]pyridine
PubChem CID18367505
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name4-[1-(diethoxymethyl)-5-(4-fluorophenyl)imidazol-4-yl]pyridine
SMILESCCOC(OCC)n1cnc(-c2ccncc2)c1-c1ccc(F)cc1
InChIInChI=1S/C19H20FN3O2/c1-3-24-19(25-4-2)23-13-22-17(14-9-11-21-12-10-14)18(23)15-5-7-16(20)8-6-15/h5-13,19H,3-4H2,1-2H3
InChIKeyRINDIXSOILAVRZ-UHFFFAOYSA-N
XLogP4.28
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 54.28
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 4-[1-(diethoxymethyl)-5-(4-fluorophenyl)imidazol-4-yl]pyridine?
The IUPAC name of 4-[1-(diethoxymethyl)-5-(4-fluorophenyl)imidazol-4-yl]pyridine (CID 18367505) is 4-[1-(diethoxymethyl)-5-(4-fluorophenyl)imidazol-4-yl]pyridine.
What is the SMILES notation for 4-[1-(diethoxymethyl)-5-(4-fluorophenyl)imidazol-4-yl]pyridine?
The canonical SMILES for 4-[1-(diethoxymethyl)-5-(4-fluorophenyl)imidazol-4-yl]pyridine is CCOC(OCC)n1cnc(-c2ccncc2)c1-c1ccc(F)cc1.
What is the InChIKey of 4-[1-(diethoxymethyl)-5-(4-fluorophenyl)imidazol-4-yl]pyridine?
The InChIKey is RINDIXSOILAVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2/c1-3-24-19(25-4-2)23-13-22-17(14-9-11-21-12-10-14)18(23)15-5-7-16(20)8-6-15/h5-13,19H,3-4H2,1-2H3.
What are the key properties of 4-[1-(diethoxymethyl)-5-(4-fluorophenyl)imidazol-4-yl]pyridine?
4-[1-(diethoxymethyl)-5-(4-fluorophenyl)imidazol-4-yl]pyridine has a molecular weight of 341.39 g/mol, XLogP of 4.28, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(diethoxymethyl)-5-(4-fluorophenyl)imidazol-4-yl]pyridine is sourced from PubChem (CID 18367505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).