4-[3-(2,2-diethoxyethyl)-5-(4-fluorophenyl)imidazol-4-yl]pyridine

C20H22FN3O2 — CID 22464148

IUPAC4-[3-(2,2-diethoxyethyl)-5-(4-fluorophenyl)imidazol-4-yl]pyridine
SMILESCCOC(Cn1cnc(-c2ccc(F)cc2)c1-c1ccncc1)OCC
InChIInChI=1S/C20H22FN3O2/c1-3-25-18(26-4-2)13-24-14-23-19(15-5-7-17(21)8-6-15)20(24)16-9-11-22-12-10-16/h5-12,14,18H,3-4,13H2,1-2H3
InChIKeyCQKBAFMCHSKLIS-UHFFFAOYSA-N
MW355.41 g/mol
LogP4.15
Rot. Bonds8

About 4-[3-(2,2-diethoxyethyl)-5-(4-fluorophenyl)imidazol-4-yl]pyridine

4-[3-(2,2-diethoxyethyl)-5-(4-fluorophenyl)imidazol-4-yl]pyridine (PubChem CID 22464148) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is 4-[3-(2,2-diethoxyethyl)-5-(4-fluorophenyl)imidazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[3-(2,2-diethoxyethyl)-5-(4-fluorophenyl)imidazol-4-yl]pyridine
PubChem CID22464148
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC Name4-[3-(2,2-diethoxyethyl)-5-(4-fluorophenyl)imidazol-4-yl]pyridine
SMILESCCOC(Cn1cnc(-c2ccc(F)cc2)c1-c1ccncc1)OCC
InChIInChI=1S/C20H22FN3O2/c1-3-25-18(26-4-2)13-24-14-23-19(15-5-7-17(21)8-6-15)20(24)16-9-11-22-12-10-16/h5-12,14,18H,3-4,13H2,1-2H3
InChIKeyCQKBAFMCHSKLIS-UHFFFAOYSA-N
XLogP4.15
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 54.15
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-[3-(2,2-diethoxyethyl)-5-(4-fluorophenyl)imidazol-4-yl]pyridine?
The IUPAC name of 4-[3-(2,2-diethoxyethyl)-5-(4-fluorophenyl)imidazol-4-yl]pyridine (CID 22464148) is 4-[3-(2,2-diethoxyethyl)-5-(4-fluorophenyl)imidazol-4-yl]pyridine.
What is the SMILES notation for 4-[3-(2,2-diethoxyethyl)-5-(4-fluorophenyl)imidazol-4-yl]pyridine?
The canonical SMILES for 4-[3-(2,2-diethoxyethyl)-5-(4-fluorophenyl)imidazol-4-yl]pyridine is CCOC(Cn1cnc(-c2ccc(F)cc2)c1-c1ccncc1)OCC.
What is the InChIKey of 4-[3-(2,2-diethoxyethyl)-5-(4-fluorophenyl)imidazol-4-yl]pyridine?
The InChIKey is CQKBAFMCHSKLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2/c1-3-25-18(26-4-2)13-24-14-23-19(15-5-7-17(21)8-6-15)20(24)16-9-11-22-12-10-16/h5-12,14,18H,3-4,13H2,1-2H3.
What are the key properties of 4-[3-(2,2-diethoxyethyl)-5-(4-fluorophenyl)imidazol-4-yl]pyridine?
4-[3-(2,2-diethoxyethyl)-5-(4-fluorophenyl)imidazol-4-yl]pyridine has a molecular weight of 355.41 g/mol, XLogP of 4.15, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,2-diethoxyethyl)-5-(4-fluorophenyl)imidazol-4-yl]pyridine is sourced from PubChem (CID 22464148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).