4-[5-(4-fluorophenyl)-3-(3-pyrrolidin-1-ylpropyl)imidazol-4-yl]pyridine

C21H23FN4 — CID 10066478

IUPAC4-[5-(4-fluorophenyl)-3-(3-pyrrolidin-1-ylpropyl)imidazol-4-yl]pyridine
SMILESFc1ccc(-c2ncn(CCCN3CCCC3)c2-c2ccncc2)cc1
InChIInChI=1S/C21H23FN4/c22-19-6-4-17(5-7-19)20-21(18-8-10-23-11-9-18)26(16-24-20)15-3-14-25-12-1-2-13-25/h4-11,16H,1-3,12-15H2
InChIKeyXYBYJNUTYQCHIH-UHFFFAOYSA-N
MW350.44 g/mol
LogP4.24
Rot. Bonds6

About 4-[5-(4-fluorophenyl)-3-(3-pyrrolidin-1-ylpropyl)imidazol-4-yl]pyridine

4-[5-(4-fluorophenyl)-3-(3-pyrrolidin-1-ylpropyl)imidazol-4-yl]pyridine (PubChem CID 10066478) has the molecular formula C21H23FN4 and a molecular weight of 350.44 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-3-(3-pyrrolidin-1-ylpropyl)imidazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-3-(3-pyrrolidin-1-ylpropyl)imidazol-4-yl]pyridine
PubChem CID10066478
Molecular FormulaC21H23FN4
Molecular Weight350.44 g/mol
Exact Mass350.19
IUPAC Name4-[5-(4-fluorophenyl)-3-(3-pyrrolidin-1-ylpropyl)imidazol-4-yl]pyridine
SMILESFc1ccc(-c2ncn(CCCN3CCCC3)c2-c2ccncc2)cc1
InChIInChI=1S/C21H23FN4/c22-19-6-4-17(5-7-19)20-21(18-8-10-23-11-9-18)26(16-24-20)15-3-14-25-12-1-2-13-25/h4-11,16H,1-3,12-15H2
InChIKeyXYBYJNUTYQCHIH-UHFFFAOYSA-N
XLogP4.24
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-3-(3-pyrrolidin-1-ylpropyl)imidazol-4-yl]pyridine?
The IUPAC name of 4-[5-(4-fluorophenyl)-3-(3-pyrrolidin-1-ylpropyl)imidazol-4-yl]pyridine (CID 10066478) is 4-[5-(4-fluorophenyl)-3-(3-pyrrolidin-1-ylpropyl)imidazol-4-yl]pyridine.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-3-(3-pyrrolidin-1-ylpropyl)imidazol-4-yl]pyridine?
The canonical SMILES for 4-[5-(4-fluorophenyl)-3-(3-pyrrolidin-1-ylpropyl)imidazol-4-yl]pyridine is Fc1ccc(-c2ncn(CCCN3CCCC3)c2-c2ccncc2)cc1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-3-(3-pyrrolidin-1-ylpropyl)imidazol-4-yl]pyridine?
The InChIKey is XYBYJNUTYQCHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4/c22-19-6-4-17(5-7-19)20-21(18-8-10-23-11-9-18)26(16-24-20)15-3-14-25-12-1-2-13-25/h4-11,16H,1-3,12-15H2.
What are the key properties of 4-[5-(4-fluorophenyl)-3-(3-pyrrolidin-1-ylpropyl)imidazol-4-yl]pyridine?
4-[5-(4-fluorophenyl)-3-(3-pyrrolidin-1-ylpropyl)imidazol-4-yl]pyridine has a molecular weight of 350.44 g/mol, XLogP of 4.24, 6 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-pyrrolidin-1-ylpropyl)imidazol-4-yl]pyridine is sourced from PubChem (CID 10066478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).