1-(4-fluorobenzoyl)-9b-[3-(2-methoxyethoxy)phenyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one

C26H23FN2O4 — CID 59025809

IUPAC1-(4-fluorobenzoyl)-9b-[3-(2-methoxyethoxy)phenyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one
SMILESCOCCOc1cccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C26H23FN2O4/c1-32-15-16-33-21-6-4-5-19(17-21)26-23-8-3-2-7-22(23)25(31)29(26)14-13-28(26)24(30)18-9-11-20(27)12-10-18/h2-12,17H,13-16H2,1H3
InChIKeyMJSMDNBJTJKIDH-UHFFFAOYSA-N
MW446.48 g/mol
LogP3.66
Rot. Bonds6

About 1-(4-fluorobenzoyl)-9b-[3-(2-methoxyethoxy)phenyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one

1-(4-fluorobenzoyl)-9b-[3-(2-methoxyethoxy)phenyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one (PubChem CID 59025809) has the molecular formula C26H23FN2O4 and a molecular weight of 446.48 g/mol. Its IUPAC name is 1-(4-fluorobenzoyl)-9b-[3-(2-methoxyethoxy)phenyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one.

Molecular Properties

Compound Name1-(4-fluorobenzoyl)-9b-[3-(2-methoxyethoxy)phenyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one
PubChem CID59025809
Molecular FormulaC26H23FN2O4
Molecular Weight446.48 g/mol
Exact Mass446.16
IUPAC Name1-(4-fluorobenzoyl)-9b-[3-(2-methoxyethoxy)phenyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one
SMILESCOCCOc1cccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C26H23FN2O4/c1-32-15-16-33-21-6-4-5-19(17-21)26-23-8-3-2-7-22(23)25(31)29(26)14-13-28(26)24(30)18-9-11-20(27)12-10-18/h2-12,17H,13-16H2,1H3
InChIKeyMJSMDNBJTJKIDH-UHFFFAOYSA-N
XLogP3.66
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.48
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorobenzoyl)-9b-[3-(2-methoxyethoxy)phenyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The IUPAC name of 1-(4-fluorobenzoyl)-9b-[3-(2-methoxyethoxy)phenyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one (CID 59025809) is 1-(4-fluorobenzoyl)-9b-[3-(2-methoxyethoxy)phenyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one.
What is the SMILES notation for 1-(4-fluorobenzoyl)-9b-[3-(2-methoxyethoxy)phenyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The canonical SMILES for 1-(4-fluorobenzoyl)-9b-[3-(2-methoxyethoxy)phenyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one is COCCOc1cccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)cc2)c1.
What is the InChIKey of 1-(4-fluorobenzoyl)-9b-[3-(2-methoxyethoxy)phenyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The InChIKey is MJSMDNBJTJKIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN2O4/c1-32-15-16-33-21-6-4-5-19(17-21)26-23-8-3-2-7-22(23)25(31)29(26)14-13-28(26)24(30)18-9-11-20(27)12-10-18/h2-12,17H,13-16H2,1H3.
What are the key properties of 1-(4-fluorobenzoyl)-9b-[3-(2-methoxyethoxy)phenyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
1-(4-fluorobenzoyl)-9b-[3-(2-methoxyethoxy)phenyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one has a molecular weight of 446.48 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobenzoyl)-9b-[3-(2-methoxyethoxy)phenyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one is sourced from PubChem (CID 59025809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).