1-(4-fluorophenyl)-3-(2-propan-2-ylimidazol-1-yl)propan-1-one

C15H17FN2O — CID 43793253

IUPAC1-(4-fluorophenyl)-3-(2-propan-2-ylimidazol-1-yl)propan-1-one
SMILESCC(C)c1nccn1CCC(=O)c1ccc(F)cc1
InChIInChI=1S/C15H17FN2O/c1-11(2)15-17-8-10-18(15)9-7-14(19)12-3-5-13(16)6-4-12/h3-6,8,10-11H,7,9H2,1-2H3
InChIKeyZNUYHMUXVWXYCC-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.42
Rot. Bonds5

About 1-(4-fluorophenyl)-3-(2-propan-2-ylimidazol-1-yl)propan-1-one

1-(4-fluorophenyl)-3-(2-propan-2-ylimidazol-1-yl)propan-1-one (PubChem CID 43793253) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(2-propan-2-ylimidazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(2-propan-2-ylimidazol-1-yl)propan-1-one
PubChem CID43793253
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name1-(4-fluorophenyl)-3-(2-propan-2-ylimidazol-1-yl)propan-1-one
SMILESCC(C)c1nccn1CCC(=O)c1ccc(F)cc1
InChIInChI=1S/C15H17FN2O/c1-11(2)15-17-8-10-18(15)9-7-14(19)12-3-5-13(16)6-4-12/h3-6,8,10-11H,7,9H2,1-2H3
InChIKeyZNUYHMUXVWXYCC-UHFFFAOYSA-N
XLogP3.42
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(2-propan-2-ylimidazol-1-yl)propan-1-one?
The IUPAC name of 1-(4-fluorophenyl)-3-(2-propan-2-ylimidazol-1-yl)propan-1-one (CID 43793253) is 1-(4-fluorophenyl)-3-(2-propan-2-ylimidazol-1-yl)propan-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(2-propan-2-ylimidazol-1-yl)propan-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-3-(2-propan-2-ylimidazol-1-yl)propan-1-one is CC(C)c1nccn1CCC(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(2-propan-2-ylimidazol-1-yl)propan-1-one?
The InChIKey is ZNUYHMUXVWXYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-11(2)15-17-8-10-18(15)9-7-14(19)12-3-5-13(16)6-4-12/h3-6,8,10-11H,7,9H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-3-(2-propan-2-ylimidazol-1-yl)propan-1-one?
1-(4-fluorophenyl)-3-(2-propan-2-ylimidazol-1-yl)propan-1-one has a molecular weight of 260.31 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(2-propan-2-ylimidazol-1-yl)propan-1-one is sourced from PubChem (CID 43793253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).