9b-(4-chlorophenyl)-1-(2,2,2-trifluoroacetyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one

C18H12ClF3N2O2 — CID 59026070

IUPAC9b-(4-chlorophenyl)-1-(2,2,2-trifluoroacetyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
SMILESO=C1c2ccccc2C2(c3ccc(Cl)cc3)N1CCN2C(=O)C(F)(F)F
InChIInChI=1S/C18H12ClF3N2O2/c19-12-7-5-11(6-8-12)17-14-4-2-1-3-13(14)15(25)23(17)9-10-24(17)16(26)18(20,21)22/h1-8H,9-10H2
InChIKeyHQOWPCGHLAMRJB-UHFFFAOYSA-N
MW380.75 g/mol
LogP3.40
Rot. Bonds1

About 9b-(4-chlorophenyl)-1-(2,2,2-trifluoroacetyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one

9b-(4-chlorophenyl)-1-(2,2,2-trifluoroacetyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one (PubChem CID 59026070) has the molecular formula C18H12ClF3N2O2 and a molecular weight of 380.75 g/mol. Its IUPAC name is 9b-(4-chlorophenyl)-1-(2,2,2-trifluoroacetyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one.

Molecular Properties

Compound Name9b-(4-chlorophenyl)-1-(2,2,2-trifluoroacetyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
PubChem CID59026070
Molecular FormulaC18H12ClF3N2O2
Molecular Weight380.75 g/mol
Exact Mass380.05
IUPAC Name9b-(4-chlorophenyl)-1-(2,2,2-trifluoroacetyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
SMILESO=C1c2ccccc2C2(c3ccc(Cl)cc3)N1CCN2C(=O)C(F)(F)F
InChIInChI=1S/C18H12ClF3N2O2/c19-12-7-5-11(6-8-12)17-14-4-2-1-3-13(14)15(25)23(17)9-10-24(17)16(26)18(20,21)22/h1-8H,9-10H2
InChIKeyHQOWPCGHLAMRJB-UHFFFAOYSA-N
XLogP3.40
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.75
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9b-(4-chlorophenyl)-1-(2,2,2-trifluoroacetyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one 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 9b-(4-chlorophenyl)-1-(2,2,2-trifluoroacetyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The IUPAC name of 9b-(4-chlorophenyl)-1-(2,2,2-trifluoroacetyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one (CID 59026070) is 9b-(4-chlorophenyl)-1-(2,2,2-trifluoroacetyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one.
What is the SMILES notation for 9b-(4-chlorophenyl)-1-(2,2,2-trifluoroacetyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The canonical SMILES for 9b-(4-chlorophenyl)-1-(2,2,2-trifluoroacetyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one is O=C1c2ccccc2C2(c3ccc(Cl)cc3)N1CCN2C(=O)C(F)(F)F.
What is the InChIKey of 9b-(4-chlorophenyl)-1-(2,2,2-trifluoroacetyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The InChIKey is HQOWPCGHLAMRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF3N2O2/c19-12-7-5-11(6-8-12)17-14-4-2-1-3-13(14)15(25)23(17)9-10-24(17)16(26)18(20,21)22/h1-8H,9-10H2.
What are the key properties of 9b-(4-chlorophenyl)-1-(2,2,2-trifluoroacetyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
9b-(4-chlorophenyl)-1-(2,2,2-trifluoroacetyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one has a molecular weight of 380.75 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9b-(4-chlorophenyl)-1-(2,2,2-trifluoroacetyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one is sourced from PubChem (CID 59026070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).