1-[4-[1-(2-fluorophenyl)imidazol-2-yl]piperazin-1-yl]ethanone

C15H17FN4O — CID 42111074

IUPAC1-[4-[1-(2-fluorophenyl)imidazol-2-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nccn2-c2ccccc2F)CC1
InChIInChI=1S/C15H17FN4O/c1-12(21)18-8-10-19(11-9-18)15-17-6-7-20(15)14-5-3-2-4-13(14)16/h2-7H,8-11H2,1H3
InChIKeyMCTWGMZUZRDJSX-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.68
Rot. Bonds2

About 1-[4-[1-(2-fluorophenyl)imidazol-2-yl]piperazin-1-yl]ethanone

1-[4-[1-(2-fluorophenyl)imidazol-2-yl]piperazin-1-yl]ethanone (PubChem CID 42111074) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is 1-[4-[1-(2-fluorophenyl)imidazol-2-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[1-(2-fluorophenyl)imidazol-2-yl]piperazin-1-yl]ethanone
PubChem CID42111074
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC Name1-[4-[1-(2-fluorophenyl)imidazol-2-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nccn2-c2ccccc2F)CC1
InChIInChI=1S/C15H17FN4O/c1-12(21)18-8-10-19(11-9-18)15-17-6-7-20(15)14-5-3-2-4-13(14)16/h2-7H,8-11H2,1H3
InChIKeyMCTWGMZUZRDJSX-UHFFFAOYSA-N
XLogP1.68
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(2-fluorophenyl)imidazol-2-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[1-(2-fluorophenyl)imidazol-2-yl]piperazin-1-yl]ethanone (CID 42111074) is 1-[4-[1-(2-fluorophenyl)imidazol-2-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[1-(2-fluorophenyl)imidazol-2-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[1-(2-fluorophenyl)imidazol-2-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2nccn2-c2ccccc2F)CC1.
What is the InChIKey of 1-[4-[1-(2-fluorophenyl)imidazol-2-yl]piperazin-1-yl]ethanone?
The InChIKey is MCTWGMZUZRDJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O/c1-12(21)18-8-10-19(11-9-18)15-17-6-7-20(15)14-5-3-2-4-13(14)16/h2-7H,8-11H2,1H3.
What are the key properties of 1-[4-[1-(2-fluorophenyl)imidazol-2-yl]piperazin-1-yl]ethanone?
1-[4-[1-(2-fluorophenyl)imidazol-2-yl]piperazin-1-yl]ethanone has a molecular weight of 288.33 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(2-fluorophenyl)imidazol-2-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 42111074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).