2-(3-fluoro-5-nitrophenyl)-4,5-dihydro-1H-imidazole

C9H8FN3O2 — CID 171475765

IUPAC2-(3-fluoro-5-nitrophenyl)-4,5-dihydro-1H-imidazole
SMILESO=[N+]([O-])c1cc(F)cc(C2=NCCN2)c1
InChIInChI=1S/C9H8FN3O2/c10-7-3-6(9-11-1-2-12-9)4-8(5-7)13(14)15/h3-5H,1-2H2,(H,11,12)
InChIKeyONPAQQSHEHUDAB-UHFFFAOYSA-N
MW209.18 g/mol
LogP1.08
Rot. Bonds2

About 2-(3-fluoro-5-nitrophenyl)-4,5-dihydro-1H-imidazole

2-(3-fluoro-5-nitrophenyl)-4,5-dihydro-1H-imidazole (PubChem CID 171475765) has the molecular formula C9H8FN3O2 and a molecular weight of 209.18 g/mol. Its IUPAC name is 2-(3-fluoro-5-nitrophenyl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-(3-fluoro-5-nitrophenyl)-4,5-dihydro-1H-imidazole
PubChem CID171475765
Molecular FormulaC9H8FN3O2
Molecular Weight209.18 g/mol
Exact Mass209.06
IUPAC Name2-(3-fluoro-5-nitrophenyl)-4,5-dihydro-1H-imidazole
SMILESO=[N+]([O-])c1cc(F)cc(C2=NCCN2)c1
InChIInChI=1S/C9H8FN3O2/c10-7-3-6(9-11-1-2-12-9)4-8(5-7)13(14)15/h3-5H,1-2H2,(H,11,12)
InChIKeyONPAQQSHEHUDAB-UHFFFAOYSA-N
XLogP1.08
TPSA67.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.18
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-5-nitrophenyl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-(3-fluoro-5-nitrophenyl)-4,5-dihydro-1H-imidazole (CID 171475765) is 2-(3-fluoro-5-nitrophenyl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-(3-fluoro-5-nitrophenyl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-(3-fluoro-5-nitrophenyl)-4,5-dihydro-1H-imidazole is O=[N+]([O-])c1cc(F)cc(C2=NCCN2)c1.
What is the InChIKey of 2-(3-fluoro-5-nitrophenyl)-4,5-dihydro-1H-imidazole?
The InChIKey is ONPAQQSHEHUDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3O2/c10-7-3-6(9-11-1-2-12-9)4-8(5-7)13(14)15/h3-5H,1-2H2,(H,11,12).
What are the key properties of 2-(3-fluoro-5-nitrophenyl)-4,5-dihydro-1H-imidazole?
2-(3-fluoro-5-nitrophenyl)-4,5-dihydro-1H-imidazole has a molecular weight of 209.18 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-5-nitrophenyl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 171475765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).