2-fluoro-6-[4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperazin-1-yl]benzonitrile

C16H18FN5O2 — CID 37122747

IUPAC2-fluoro-6-[4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperazin-1-yl]benzonitrile
SMILESN#Cc1c(F)cccc1N1CCN(CC(=O)N2CCNC2=O)CC1
InChIInChI=1S/C16H18FN5O2/c17-13-2-1-3-14(12(13)10-18)21-8-6-20(7-9-21)11-15(23)22-5-4-19-16(22)24/h1-3H,4-9,11H2,(H,19,24)
InChIKeyHJWKOBRUNUFUFP-UHFFFAOYSA-N
MW331.35 g/mol
LogP0.37
Rot. Bonds3

About 2-fluoro-6-[4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperazin-1-yl]benzonitrile

2-fluoro-6-[4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperazin-1-yl]benzonitrile (PubChem CID 37122747) has the molecular formula C16H18FN5O2 and a molecular weight of 331.35 g/mol. Its IUPAC name is 2-fluoro-6-[4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperazin-1-yl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-[4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperazin-1-yl]benzonitrile
PubChem CID37122747
Molecular FormulaC16H18FN5O2
Molecular Weight331.35 g/mol
Exact Mass331.14
IUPAC Name2-fluoro-6-[4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperazin-1-yl]benzonitrile
SMILESN#Cc1c(F)cccc1N1CCN(CC(=O)N2CCNC2=O)CC1
InChIInChI=1S/C16H18FN5O2/c17-13-2-1-3-14(12(13)10-18)21-8-6-20(7-9-21)11-15(23)22-5-4-19-16(22)24/h1-3H,4-9,11H2,(H,19,24)
InChIKeyHJWKOBRUNUFUFP-UHFFFAOYSA-N
XLogP0.37
TPSA79.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-fluoro-6-[4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperazin-1-yl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperazin-1-yl]benzonitrile?
The IUPAC name of 2-fluoro-6-[4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperazin-1-yl]benzonitrile (CID 37122747) is 2-fluoro-6-[4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperazin-1-yl]benzonitrile.
What is the SMILES notation for 2-fluoro-6-[4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperazin-1-yl]benzonitrile?
The canonical SMILES for 2-fluoro-6-[4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperazin-1-yl]benzonitrile is N#Cc1c(F)cccc1N1CCN(CC(=O)N2CCNC2=O)CC1.
What is the InChIKey of 2-fluoro-6-[4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperazin-1-yl]benzonitrile?
The InChIKey is HJWKOBRUNUFUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN5O2/c17-13-2-1-3-14(12(13)10-18)21-8-6-20(7-9-21)11-15(23)22-5-4-19-16(22)24/h1-3H,4-9,11H2,(H,19,24).
What are the key properties of 2-fluoro-6-[4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperazin-1-yl]benzonitrile?
2-fluoro-6-[4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperazin-1-yl]benzonitrile has a molecular weight of 331.35 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperazin-1-yl]benzonitrile is sourced from PubChem (CID 37122747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).