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

C24H16F4N2O2 — CID 11751032

IUPAC1-(4-fluorobenzoyl)-9b-[4-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one
SMILESO=C(c1ccc(F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H16F4N2O2/c25-18-11-5-15(6-12-18)21(31)29-13-14-30-22(32)19-3-1-2-4-20(19)23(29,30)16-7-9-17(10-8-16)24(26,27)28/h1-12H,13-14H2
InChIKeyYBEUYEIWJYUZHN-UHFFFAOYSA-N
MW440.40 g/mol
LogP4.66
Rot. Bonds2

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

1-(4-fluorobenzoyl)-9b-[4-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one (PubChem CID 11751032) has the molecular formula C24H16F4N2O2 and a molecular weight of 440.40 g/mol. Its IUPAC name is 1-(4-fluorobenzoyl)-9b-[4-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one.

Molecular Properties

Compound Name1-(4-fluorobenzoyl)-9b-[4-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one
PubChem CID11751032
Molecular FormulaC24H16F4N2O2
Molecular Weight440.40 g/mol
Exact Mass440.11
IUPAC Name1-(4-fluorobenzoyl)-9b-[4-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one
SMILESO=C(c1ccc(F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H16F4N2O2/c25-18-11-5-15(6-12-18)21(31)29-13-14-30-22(32)19-3-1-2-4-20(19)23(29,30)16-7-9-17(10-8-16)24(26,27)28/h1-12H,13-14H2
InChIKeyYBEUYEIWJYUZHN-UHFFFAOYSA-N
XLogP4.66
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.40
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorobenzoyl)-9b-[4-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The IUPAC name of 1-(4-fluorobenzoyl)-9b-[4-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one (CID 11751032) is 1-(4-fluorobenzoyl)-9b-[4-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one.
What is the SMILES notation for 1-(4-fluorobenzoyl)-9b-[4-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The canonical SMILES for 1-(4-fluorobenzoyl)-9b-[4-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one is O=C(c1ccc(F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-(4-fluorobenzoyl)-9b-[4-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The InChIKey is YBEUYEIWJYUZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F4N2O2/c25-18-11-5-15(6-12-18)21(31)29-13-14-30-22(32)19-3-1-2-4-20(19)23(29,30)16-7-9-17(10-8-16)24(26,27)28/h1-12H,13-14H2.
What are the key properties of 1-(4-fluorobenzoyl)-9b-[4-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
1-(4-fluorobenzoyl)-9b-[4-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one has a molecular weight of 440.40 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobenzoyl)-9b-[4-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one is sourced from PubChem (CID 11751032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).