2-[(4-fluorophenyl)-(3-methylimidazol-4-yl)methoxy]isoindole-1,3-dione

C19H14FN3O3 — CID 69024080

IUPAC2-[(4-fluorophenyl)-(3-methylimidazol-4-yl)methoxy]isoindole-1,3-dione
SMILESCn1cncc1C(ON1C(=O)c2ccccc2C1=O)c1ccc(F)cc1
InChIInChI=1S/C19H14FN3O3/c1-22-11-21-10-16(22)17(12-6-8-13(20)9-7-12)26-23-18(24)14-4-2-3-5-15(14)19(23)25/h2-11,17H,1H3
InChIKeyFEMYXBHUPZJGNJ-UHFFFAOYSA-N
MW351.34 g/mol
LogP2.88
Rot. Bonds4

About 2-[(4-fluorophenyl)-(3-methylimidazol-4-yl)methoxy]isoindole-1,3-dione

2-[(4-fluorophenyl)-(3-methylimidazol-4-yl)methoxy]isoindole-1,3-dione (PubChem CID 69024080) has the molecular formula C19H14FN3O3 and a molecular weight of 351.34 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)-(3-methylimidazol-4-yl)methoxy]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(4-fluorophenyl)-(3-methylimidazol-4-yl)methoxy]isoindole-1,3-dione
PubChem CID69024080
Molecular FormulaC19H14FN3O3
Molecular Weight351.34 g/mol
Exact Mass351.10
IUPAC Name2-[(4-fluorophenyl)-(3-methylimidazol-4-yl)methoxy]isoindole-1,3-dione
SMILESCn1cncc1C(ON1C(=O)c2ccccc2C1=O)c1ccc(F)cc1
InChIInChI=1S/C19H14FN3O3/c1-22-11-21-10-16(22)17(12-6-8-13(20)9-7-12)26-23-18(24)14-4-2-3-5-15(14)19(23)25/h2-11,17H,1H3
InChIKeyFEMYXBHUPZJGNJ-UHFFFAOYSA-N
XLogP2.88
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.34
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(4-fluorophenyl)-(3-methylimidazol-4-yl)methoxy]isoindole-1,3-dione 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-[(4-fluorophenyl)-(3-methylimidazol-4-yl)methoxy]isoindole-1,3-dione?
The IUPAC name of 2-[(4-fluorophenyl)-(3-methylimidazol-4-yl)methoxy]isoindole-1,3-dione (CID 69024080) is 2-[(4-fluorophenyl)-(3-methylimidazol-4-yl)methoxy]isoindole-1,3-dione.
What is the SMILES notation for 2-[(4-fluorophenyl)-(3-methylimidazol-4-yl)methoxy]isoindole-1,3-dione?
The canonical SMILES for 2-[(4-fluorophenyl)-(3-methylimidazol-4-yl)methoxy]isoindole-1,3-dione is Cn1cncc1C(ON1C(=O)c2ccccc2C1=O)c1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)-(3-methylimidazol-4-yl)methoxy]isoindole-1,3-dione?
The InChIKey is FEMYXBHUPZJGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O3/c1-22-11-21-10-16(22)17(12-6-8-13(20)9-7-12)26-23-18(24)14-4-2-3-5-15(14)19(23)25/h2-11,17H,1H3.
What are the key properties of 2-[(4-fluorophenyl)-(3-methylimidazol-4-yl)methoxy]isoindole-1,3-dione?
2-[(4-fluorophenyl)-(3-methylimidazol-4-yl)methoxy]isoindole-1,3-dione has a molecular weight of 351.34 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)-(3-methylimidazol-4-yl)methoxy]isoindole-1,3-dione is sourced from PubChem (CID 69024080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).