(4S)-4-(5-fluoro-2-nitrophenyl)imidazolidin-2-one

C9H8FN3O3 — CID 171252708

IUPAC(4S)-4-(5-fluoro-2-nitrophenyl)imidazolidin-2-one
SMILESO=C1NC[C@H](c2cc(F)ccc2[N+](=O)[O-])N1
InChIInChI=1S/C9H8FN3O3/c10-5-1-2-8(13(15)16)6(3-5)7-4-11-9(14)12-7/h1-3,7H,4H2,(H2,11,12,14)/t7-/m1/s1
InChIKeyXYIGDLHDAVVFKP-SSDOTTSWSA-N
MW225.18 g/mol
LogP1.09
Rot. Bonds2

About (4S)-4-(5-fluoro-2-nitrophenyl)imidazolidin-2-one

(4S)-4-(5-fluoro-2-nitrophenyl)imidazolidin-2-one (PubChem CID 171252708) has the molecular formula C9H8FN3O3 and a molecular weight of 225.18 g/mol. Its IUPAC name is (4S)-4-(5-fluoro-2-nitrophenyl)imidazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(5-fluoro-2-nitrophenyl)imidazolidin-2-one
PubChem CID171252708
Molecular FormulaC9H8FN3O3
Molecular Weight225.18 g/mol
Exact Mass225.05
IUPAC Name(4S)-4-(5-fluoro-2-nitrophenyl)imidazolidin-2-one
SMILESO=C1NC[C@H](c2cc(F)ccc2[N+](=O)[O-])N1
InChIInChI=1S/C9H8FN3O3/c10-5-1-2-8(13(15)16)6(3-5)7-4-11-9(14)12-7/h1-3,7H,4H2,(H2,11,12,14)/t7-/m1/s1
InChIKeyXYIGDLHDAVVFKP-SSDOTTSWSA-N
XLogP1.09
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.18
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (4S)-4-(5-fluoro-2-nitrophenyl)imidazolidin-2-one with MolForge

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

Launch Full Analysis

Related Compounds

(2S)-2-(5-fluoro-2-nitrophenyl)piperazine
CID 171193759
(2R)-2-(5-fluoro-2-nitrophenyl)pyrrolidine;hydrochloride
CID 171195941
(4S)-4-(2,4,5-trifluorophenyl)imidazolidin-2-one
CID 171252769
(4S)-4-(4-methoxy-3-nitrophenyl)imidazolidin-2-one
CID 171252695
2-[(1R)-cyclohex-2-en-1-yl]-4-fluoro-1-nitrobenzene
CID 125485528
(4S)-4-(2,3,4-trifluorophenyl)imidazolidin-2-one
CID 171252704
(4R)-4-(3-bromo-2-hydroxy-5-nitrophenyl)imidazolidin-2-one
CID 171252621
(4R)-4-(2-fluoro-4-hydroxyphenyl)imidazolidin-2-one
CID 131037955
2-(5-fluoro-2-nitrophenyl)-2,3-dihydro-1,3-benzothiazole
CID 70375535
(2S)-2-(5-chloro-2-nitrophenyl)aziridine
CID 55263842
(2S)-2-(4-fluoro-2-nitrophenyl)piperidine
CID 131395482
2-(4-fluoro-2-nitrophenyl)azepane
CID 113417343

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(5-fluoro-2-nitrophenyl)imidazolidin-2-one?
The IUPAC name of (4S)-4-(5-fluoro-2-nitrophenyl)imidazolidin-2-one (CID 171252708) is (4S)-4-(5-fluoro-2-nitrophenyl)imidazolidin-2-one.
What is the SMILES notation for (4S)-4-(5-fluoro-2-nitrophenyl)imidazolidin-2-one?
The canonical SMILES for (4S)-4-(5-fluoro-2-nitrophenyl)imidazolidin-2-one is O=C1NC[C@H](c2cc(F)ccc2[N+](=O)[O-])N1.
What is the InChIKey of (4S)-4-(5-fluoro-2-nitrophenyl)imidazolidin-2-one?
The InChIKey is XYIGDLHDAVVFKP-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H8FN3O3/c10-5-1-2-8(13(15)16)6(3-5)7-4-11-9(14)12-7/h1-3,7H,4H2,(H2,11,12,14)/t7-/m1/s1.
What are the key properties of (4S)-4-(5-fluoro-2-nitrophenyl)imidazolidin-2-one?
(4S)-4-(5-fluoro-2-nitrophenyl)imidazolidin-2-one has a molecular weight of 225.18 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(5-fluoro-2-nitrophenyl)imidazolidin-2-one is sourced from PubChem (CID 171252708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).