2-[1-[1-(4-fluorophenyl)imidazol-2-yl]ethyl]isoindole-1,3-dione

C19H14FN3O2 — CID 154672797

IUPAC2-[1-[1-(4-fluorophenyl)imidazol-2-yl]ethyl]isoindole-1,3-dione
SMILESCC(c1nccn1-c1ccc(F)cc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H14FN3O2/c1-12(23-18(24)15-4-2-3-5-16(15)19(23)25)17-21-10-11-22(17)14-8-6-13(20)7-9-14/h2-12H,1H3
InChIKeyFVCYUYIGWVTJHN-UHFFFAOYSA-N
MW335.34 g/mol
LogP3.37
Rot. Bonds3

About 2-[1-[1-(4-fluorophenyl)imidazol-2-yl]ethyl]isoindole-1,3-dione

2-[1-[1-(4-fluorophenyl)imidazol-2-yl]ethyl]isoindole-1,3-dione (PubChem CID 154672797) has the molecular formula C19H14FN3O2 and a molecular weight of 335.34 g/mol. Its IUPAC name is 2-[1-[1-(4-fluorophenyl)imidazol-2-yl]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[1-[1-(4-fluorophenyl)imidazol-2-yl]ethyl]isoindole-1,3-dione
PubChem CID154672797
Molecular FormulaC19H14FN3O2
Molecular Weight335.34 g/mol
Exact Mass335.11
IUPAC Name2-[1-[1-(4-fluorophenyl)imidazol-2-yl]ethyl]isoindole-1,3-dione
SMILESCC(c1nccn1-c1ccc(F)cc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H14FN3O2/c1-12(23-18(24)15-4-2-3-5-16(15)19(23)25)17-21-10-11-22(17)14-8-6-13(20)7-9-14/h2-12H,1H3
InChIKeyFVCYUYIGWVTJHN-UHFFFAOYSA-N
XLogP3.37
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(4-fluorophenyl)imidazol-2-yl]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[1-[1-(4-fluorophenyl)imidazol-2-yl]ethyl]isoindole-1,3-dione (CID 154672797) is 2-[1-[1-(4-fluorophenyl)imidazol-2-yl]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[1-[1-(4-fluorophenyl)imidazol-2-yl]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[1-[1-(4-fluorophenyl)imidazol-2-yl]ethyl]isoindole-1,3-dione is CC(c1nccn1-c1ccc(F)cc1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[1-[1-(4-fluorophenyl)imidazol-2-yl]ethyl]isoindole-1,3-dione?
The InChIKey is FVCYUYIGWVTJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O2/c1-12(23-18(24)15-4-2-3-5-16(15)19(23)25)17-21-10-11-22(17)14-8-6-13(20)7-9-14/h2-12H,1H3.
What are the key properties of 2-[1-[1-(4-fluorophenyl)imidazol-2-yl]ethyl]isoindole-1,3-dione?
2-[1-[1-(4-fluorophenyl)imidazol-2-yl]ethyl]isoindole-1,3-dione has a molecular weight of 335.34 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(4-fluorophenyl)imidazol-2-yl]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 154672797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).