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

C20H16FN3O2 — CID 71875415

IUPAC2-[2-[1-[(3-fluorophenyl)methyl]imidazol-2-yl]ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCc1nccn1Cc1cccc(F)c1
InChIInChI=1S/C20H16FN3O2/c21-15-5-3-4-14(12-15)13-23-11-9-22-18(23)8-10-24-19(25)16-6-1-2-7-17(16)20(24)26/h1-7,9,11-12H,8,10,13H2
InChIKeyYXMYVLNKQPWCKS-UHFFFAOYSA-N
MW349.37 g/mol
LogP2.91
Rot. Bonds5

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

2-[2-[1-[(3-fluorophenyl)methyl]imidazol-2-yl]ethyl]isoindole-1,3-dione (PubChem CID 71875415) has the molecular formula C20H16FN3O2 and a molecular weight of 349.37 g/mol. Its IUPAC name is 2-[2-[1-[(3-fluorophenyl)methyl]imidazol-2-yl]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[1-[(3-fluorophenyl)methyl]imidazol-2-yl]ethyl]isoindole-1,3-dione
PubChem CID71875415
Molecular FormulaC20H16FN3O2
Molecular Weight349.37 g/mol
Exact Mass349.12
IUPAC Name2-[2-[1-[(3-fluorophenyl)methyl]imidazol-2-yl]ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCc1nccn1Cc1cccc(F)c1
InChIInChI=1S/C20H16FN3O2/c21-15-5-3-4-14(12-15)13-23-11-9-22-18(23)8-10-24-19(25)16-6-1-2-7-17(16)20(24)26/h1-7,9,11-12H,8,10,13H2
InChIKeyYXMYVLNKQPWCKS-UHFFFAOYSA-N
XLogP2.91
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 52.91
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-[2-[1-[(3-fluorophenyl)methyl]imidazol-2-yl]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[1-[(3-fluorophenyl)methyl]imidazol-2-yl]ethyl]isoindole-1,3-dione (CID 71875415) is 2-[2-[1-[(3-fluorophenyl)methyl]imidazol-2-yl]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[1-[(3-fluorophenyl)methyl]imidazol-2-yl]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[1-[(3-fluorophenyl)methyl]imidazol-2-yl]ethyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCc1nccn1Cc1cccc(F)c1.
What is the InChIKey of 2-[2-[1-[(3-fluorophenyl)methyl]imidazol-2-yl]ethyl]isoindole-1,3-dione?
The InChIKey is YXMYVLNKQPWCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O2/c21-15-5-3-4-14(12-15)13-23-11-9-22-18(23)8-10-24-19(25)16-6-1-2-7-17(16)20(24)26/h1-7,9,11-12H,8,10,13H2.
What are the key properties of 2-[2-[1-[(3-fluorophenyl)methyl]imidazol-2-yl]ethyl]isoindole-1,3-dione?
2-[2-[1-[(3-fluorophenyl)methyl]imidazol-2-yl]ethyl]isoindole-1,3-dione has a molecular weight of 349.37 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-[(3-fluorophenyl)methyl]imidazol-2-yl]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 71875415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).