2-[1-(2,4-difluorophenyl)-2-imidazol-1-ylethoxy]isoindole-1,3-dione

C19H13F2N3O3 — CID 10959578

IUPAC2-[1-(2,4-difluorophenyl)-2-imidazol-1-ylethoxy]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1OC(Cn1ccnc1)c1ccc(F)cc1F
InChIInChI=1S/C19H13F2N3O3/c20-12-5-6-15(16(21)9-12)17(10-23-8-7-22-11-23)27-24-18(25)13-3-1-2-4-14(13)19(24)26/h1-9,11,17H,10H2
InChIKeyFPQDHQZJUUDJBQ-UHFFFAOYSA-N
MW369.33 g/mol
LogP3.13
Rot. Bonds5

About 2-[1-(2,4-difluorophenyl)-2-imidazol-1-ylethoxy]isoindole-1,3-dione

2-[1-(2,4-difluorophenyl)-2-imidazol-1-ylethoxy]isoindole-1,3-dione (PubChem CID 10959578) has the molecular formula C19H13F2N3O3 and a molecular weight of 369.33 g/mol. Its IUPAC name is 2-[1-(2,4-difluorophenyl)-2-imidazol-1-ylethoxy]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[1-(2,4-difluorophenyl)-2-imidazol-1-ylethoxy]isoindole-1,3-dione
PubChem CID10959578
Molecular FormulaC19H13F2N3O3
Molecular Weight369.33 g/mol
Exact Mass369.09
IUPAC Name2-[1-(2,4-difluorophenyl)-2-imidazol-1-ylethoxy]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1OC(Cn1ccnc1)c1ccc(F)cc1F
InChIInChI=1S/C19H13F2N3O3/c20-12-5-6-15(16(21)9-12)17(10-23-8-7-22-11-23)27-24-18(25)13-3-1-2-4-14(13)19(24)26/h1-9,11,17H,10H2
InChIKeyFPQDHQZJUUDJBQ-UHFFFAOYSA-N
XLogP3.13
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.33
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-2-[3-[2-(2,2,2-trifluoro-1-hydroxyethyl)imidazol-1-yl]propyl]-3H-isoindol-1-one
CID 16317970
2-[(2S)-2-hydroxy-3-imidazol-1-ylpropyl]isoindole-1,3-dione
CID 51669390
2-(2,2-Difluoro-3-imidazol-1-ylpropyl)isoindole-1,3-dione
CID 19914608
2-((4-fluorophenyl)(1-methyl-1H-imidazol-5-yl)methoxy)isoindoline-1,3-dione
CID 69024080
5-Fluoro-2-(3-imidazol-1-ylpropyl)isoindole-1,3-dione
CID 17382562
2-[2-[1-[(3-Fluorophenyl)methyl]imidazol-2-yl]ethyl]isoindole-1,3-dione
CID 71875415
N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 133590667
1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 5-fluoro-2-(1H-imidazol-1-yl)benzoate
CID 165724497
2-[2-[1-[(2-Fluorophenyl)methyl]imidazol-2-yl]ethyl]isoindole-1,3-dione
CID 167861811
5-Hexen-2-ol, 1-(benzoyloxy)-3-phthalimido-2-O-(imidazolylthiocarbonyl)-, (2R,3S)-
CID 571167
2-[(2S)-2-(1,3-dioxoisoindol-2-yl)oxy-3-(2-nitroimidazol-1-yl)propyl]isoindole-1,3-dione
CID 10276392
2-[2-(1,3-Dioxoisoindol-2-yl)oxy-3-(2-nitroimidazol-1-yl)propyl]isoindole-1,3-dione
CID 10298296

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-difluorophenyl)-2-imidazol-1-ylethoxy]isoindole-1,3-dione?
The IUPAC name of 2-[1-(2,4-difluorophenyl)-2-imidazol-1-ylethoxy]isoindole-1,3-dione (CID 10959578) is 2-[1-(2,4-difluorophenyl)-2-imidazol-1-ylethoxy]isoindole-1,3-dione.
What is the SMILES notation for 2-[1-(2,4-difluorophenyl)-2-imidazol-1-ylethoxy]isoindole-1,3-dione?
The canonical SMILES for 2-[1-(2,4-difluorophenyl)-2-imidazol-1-ylethoxy]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1OC(Cn1ccnc1)c1ccc(F)cc1F.
What is the InChIKey of 2-[1-(2,4-difluorophenyl)-2-imidazol-1-ylethoxy]isoindole-1,3-dione?
The InChIKey is FPQDHQZJUUDJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2N3O3/c20-12-5-6-15(16(21)9-12)17(10-23-8-7-22-11-23)27-24-18(25)13-3-1-2-4-14(13)19(24)26/h1-9,11,17H,10H2.
What are the key properties of 2-[1-(2,4-difluorophenyl)-2-imidazol-1-ylethoxy]isoindole-1,3-dione?
2-[1-(2,4-difluorophenyl)-2-imidazol-1-ylethoxy]isoindole-1,3-dione has a molecular weight of 369.33 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-difluorophenyl)-2-imidazol-1-ylethoxy]isoindole-1,3-dione is sourced from PubChem (CID 10959578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).