4-[5-(4-fluorophenyl)-3-(3-phenoxypropyl)imidazol-4-yl]pyridine

C23H20FN3O — CID 10761882

IUPAC4-[5-(4-fluorophenyl)-3-(3-phenoxypropyl)imidazol-4-yl]pyridine
SMILESFc1ccc(-c2ncn(CCCOc3ccccc3)c2-c2ccncc2)cc1
InChIInChI=1S/C23H20FN3O/c24-20-9-7-18(8-10-20)22-23(19-11-13-25-14-12-19)27(17-26-22)15-4-16-28-21-5-2-1-3-6-21/h1-3,5-14,17H,4,15-16H2
InChIKeyPGUXJVJYJAXTTL-UHFFFAOYSA-N
MW373.43 g/mol
LogP5.22
Rot. Bonds7

About 4-[5-(4-fluorophenyl)-3-(3-phenoxypropyl)imidazol-4-yl]pyridine

4-[5-(4-fluorophenyl)-3-(3-phenoxypropyl)imidazol-4-yl]pyridine (PubChem CID 10761882) has the molecular formula C23H20FN3O and a molecular weight of 373.43 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-3-(3-phenoxypropyl)imidazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-3-(3-phenoxypropyl)imidazol-4-yl]pyridine
PubChem CID10761882
Molecular FormulaC23H20FN3O
Molecular Weight373.43 g/mol
Exact Mass373.16
IUPAC Name4-[5-(4-fluorophenyl)-3-(3-phenoxypropyl)imidazol-4-yl]pyridine
SMILESFc1ccc(-c2ncn(CCCOc3ccccc3)c2-c2ccncc2)cc1
InChIInChI=1S/C23H20FN3O/c24-20-9-7-18(8-10-20)22-23(19-11-13-25-14-12-19)27(17-26-22)15-4-16-28-21-5-2-1-3-6-21/h1-3,5-14,17H,4,15-16H2
InChIKeyPGUXJVJYJAXTTL-UHFFFAOYSA-N
XLogP5.22
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.43
LogP ≤ 55.22
H-Bond Donors ≤ 50
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 4-[5-(4-fluorophenyl)-3-(3-phenoxypropyl)imidazol-4-yl]pyridine?
The IUPAC name of 4-[5-(4-fluorophenyl)-3-(3-phenoxypropyl)imidazol-4-yl]pyridine (CID 10761882) is 4-[5-(4-fluorophenyl)-3-(3-phenoxypropyl)imidazol-4-yl]pyridine.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-3-(3-phenoxypropyl)imidazol-4-yl]pyridine?
The canonical SMILES for 4-[5-(4-fluorophenyl)-3-(3-phenoxypropyl)imidazol-4-yl]pyridine is Fc1ccc(-c2ncn(CCCOc3ccccc3)c2-c2ccncc2)cc1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-3-(3-phenoxypropyl)imidazol-4-yl]pyridine?
The InChIKey is PGUXJVJYJAXTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O/c24-20-9-7-18(8-10-20)22-23(19-11-13-25-14-12-19)27(17-26-22)15-4-16-28-21-5-2-1-3-6-21/h1-3,5-14,17H,4,15-16H2.
What are the key properties of 4-[5-(4-fluorophenyl)-3-(3-phenoxypropyl)imidazol-4-yl]pyridine?
4-[5-(4-fluorophenyl)-3-(3-phenoxypropyl)imidazol-4-yl]pyridine has a molecular weight of 373.43 g/mol, XLogP of 5.22, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-3-(3-phenoxypropyl)imidazol-4-yl]pyridine is sourced from PubChem (CID 10761882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).