1-(3-fluoro-4-piperazin-1-ylphenyl)imidazolidin-2-one

C13H17FN4O — CID 20785321

IUPAC1-(3-fluoro-4-piperazin-1-ylphenyl)imidazolidin-2-one
SMILESO=C1NCCN1c1ccc(N2CCNCC2)c(F)c1
InChIInChI=1S/C13H17FN4O/c14-11-9-10(18-8-5-16-13(18)19)1-2-12(11)17-6-3-15-4-7-17/h1-2,9,15H,3-8H2,(H,16,19)
InChIKeyPCTSSPZMYYIMFC-UHFFFAOYSA-N
MW264.30 g/mol
LogP0.76
Rot. Bonds2

About 1-(3-fluoro-4-piperazin-1-ylphenyl)imidazolidin-2-one

1-(3-fluoro-4-piperazin-1-ylphenyl)imidazolidin-2-one (PubChem CID 20785321) has the molecular formula C13H17FN4O and a molecular weight of 264.30 g/mol. Its IUPAC name is 1-(3-fluoro-4-piperazin-1-ylphenyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(3-fluoro-4-piperazin-1-ylphenyl)imidazolidin-2-one
PubChem CID20785321
Molecular FormulaC13H17FN4O
Molecular Weight264.30 g/mol
Exact Mass264.14
IUPAC Name1-(3-fluoro-4-piperazin-1-ylphenyl)imidazolidin-2-one
SMILESO=C1NCCN1c1ccc(N2CCNCC2)c(F)c1
InChIInChI=1S/C13H17FN4O/c14-11-9-10(18-8-5-16-13(18)19)1-2-12(11)17-6-3-15-4-7-17/h1-2,9,15H,3-8H2,(H,16,19)
InChIKeyPCTSSPZMYYIMFC-UHFFFAOYSA-N
XLogP0.76
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-(3-fluoro-4-piperazin-1-ylphenyl)-1,3-oxazolidin-2-one
CID 20785452
4-(3-fluoro-4-piperazin-1-ylphenyl)-1,4-thiazinane 1-oxide
CID 135346960
5-(aminomethyl)-3-(3-fluoro-4-piperazin-1-ylphenyl)-1,3-oxazolidin-2-one
CID 22509418
(5S)-5-(aminomethyl)-3-(3-fluoro-4-piperazin-1-ylphenyl)-1,3-oxazolidin-2-one;formaldehyde
CID 91132691
1-(2,4-difluorophenyl)piperazine;pyrrolidine
CID 143374840
1-(4-chloro-2-fluorophenyl)piperazine
CID 2783123
1-(3,4-difluorophenyl)-1,3-diazinan-2-one
CID 115370833
(5R)-3-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;(5R)-3-(3-fluoro-4-piperazin-1-ylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 162135714
2-(3-fluoro-4-piperazin-1-ylphenyl)oxazinane
CID 142959102
1-(4-piperazin-1-ylphenyl)-1,3-diazinan-2-one
CID 82514207
(5R)-3-(3-fluoro-4-piperazin-1-ylphenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;dihydrochloride
CID 69364107
1-[3-(1,4-diazepane-1-carbonyl)-4-fluorophenyl]imidazolidin-2-one;hydrochloride
CID 119418180

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-piperazin-1-ylphenyl)imidazolidin-2-one?
The IUPAC name of 1-(3-fluoro-4-piperazin-1-ylphenyl)imidazolidin-2-one (CID 20785321) is 1-(3-fluoro-4-piperazin-1-ylphenyl)imidazolidin-2-one.
What is the SMILES notation for 1-(3-fluoro-4-piperazin-1-ylphenyl)imidazolidin-2-one?
The canonical SMILES for 1-(3-fluoro-4-piperazin-1-ylphenyl)imidazolidin-2-one is O=C1NCCN1c1ccc(N2CCNCC2)c(F)c1.
What is the InChIKey of 1-(3-fluoro-4-piperazin-1-ylphenyl)imidazolidin-2-one?
The InChIKey is PCTSSPZMYYIMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4O/c14-11-9-10(18-8-5-16-13(18)19)1-2-12(11)17-6-3-15-4-7-17/h1-2,9,15H,3-8H2,(H,16,19).
What are the key properties of 1-(3-fluoro-4-piperazin-1-ylphenyl)imidazolidin-2-one?
1-(3-fluoro-4-piperazin-1-ylphenyl)imidazolidin-2-one has a molecular weight of 264.30 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-piperazin-1-ylphenyl)imidazolidin-2-one is sourced from PubChem (CID 20785321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).