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

C21H21ClN2O2 — CID 59025913

IUPAC9b-(4-chlorophenyl)-1-(3-methylbutanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
SMILESCC(C)CC(=O)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1
InChIInChI=1S/C21H21ClN2O2/c1-14(2)13-19(25)23-11-12-24-20(26)17-5-3-4-6-18(17)21(23,24)15-7-9-16(22)10-8-15/h3-10,14H,11-13H2,1-2H3
InChIKeyYBBSVRKLHHFISQ-UHFFFAOYSA-N
MW368.86 g/mol
LogP3.89
Rot. Bonds3

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

9b-(4-chlorophenyl)-1-(3-methylbutanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one (PubChem CID 59025913) has the molecular formula C21H21ClN2O2 and a molecular weight of 368.86 g/mol. Its IUPAC name is 9b-(4-chlorophenyl)-1-(3-methylbutanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one.

Molecular Properties

Compound Name9b-(4-chlorophenyl)-1-(3-methylbutanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
PubChem CID59025913
Molecular FormulaC21H21ClN2O2
Molecular Weight368.86 g/mol
Exact Mass368.13
IUPAC Name9b-(4-chlorophenyl)-1-(3-methylbutanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
SMILESCC(C)CC(=O)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1
InChIInChI=1S/C21H21ClN2O2/c1-14(2)13-19(25)23-11-12-24-20(26)17-5-3-4-6-18(17)21(23,24)15-7-9-16(22)10-8-15/h3-10,14H,11-13H2,1-2H3
InChIKeyYBBSVRKLHHFISQ-UHFFFAOYSA-N
XLogP3.89
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.86
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9b-(4-chlorophenyl)-1-(3-methylbutanoyl)-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-(3-methylbutanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The IUPAC name of 9b-(4-chlorophenyl)-1-(3-methylbutanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one (CID 59025913) is 9b-(4-chlorophenyl)-1-(3-methylbutanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one.
What is the SMILES notation for 9b-(4-chlorophenyl)-1-(3-methylbutanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The canonical SMILES for 9b-(4-chlorophenyl)-1-(3-methylbutanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one is CC(C)CC(=O)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1.
What is the InChIKey of 9b-(4-chlorophenyl)-1-(3-methylbutanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The InChIKey is YBBSVRKLHHFISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O2/c1-14(2)13-19(25)23-11-12-24-20(26)17-5-3-4-6-18(17)21(23,24)15-7-9-16(22)10-8-15/h3-10,14H,11-13H2,1-2H3.
What are the key properties of 9b-(4-chlorophenyl)-1-(3-methylbutanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
9b-(4-chlorophenyl)-1-(3-methylbutanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one has a molecular weight of 368.86 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9b-(4-chlorophenyl)-1-(3-methylbutanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one is sourced from PubChem (CID 59025913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).