4-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]pyridine

C17H16FN3 — CID 10802774

IUPAC4-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]pyridine
SMILESCC(C)n1cnc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C17H16FN3/c1-12(2)21-11-20-16(13-3-5-15(18)6-4-13)17(21)14-7-9-19-10-8-14/h3-12H,1-2H3
InChIKeyZXAWHDKYRBFPMS-UHFFFAOYSA-N
MW281.33 g/mol
LogP4.33
Rot. Bonds3

About 4-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]pyridine

4-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]pyridine (PubChem CID 10802774) has the molecular formula C17H16FN3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]pyridine
PubChem CID10802774
Molecular FormulaC17H16FN3
Molecular Weight281.33 g/mol
Exact Mass281.13
IUPAC Name4-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]pyridine
SMILESCC(C)n1cnc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C17H16FN3/c1-12(2)21-11-20-16(13-3-5-15(18)6-4-13)17(21)14-7-9-19-10-8-14/h3-12H,1-2H3
InChIKeyZXAWHDKYRBFPMS-UHFFFAOYSA-N
XLogP4.33
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]pyridine?
The IUPAC name of 4-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]pyridine (CID 10802774) is 4-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]pyridine.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]pyridine?
The canonical SMILES for 4-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]pyridine is CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ccncc1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]pyridine?
The InChIKey is ZXAWHDKYRBFPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3/c1-12(2)21-11-20-16(13-3-5-15(18)6-4-13)17(21)14-7-9-19-10-8-14/h3-12H,1-2H3.
What are the key properties of 4-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]pyridine?
4-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]pyridine has a molecular weight of 281.33 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]pyridine is sourced from PubChem (CID 10802774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).