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

C23H21ClN4O2 — CID 59025840

IUPAC9b-(4-chlorophenyl)-1-(2-ethyl-5-methylpyrazole-3-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
SMILESCCn1nc(C)cc1C(=O)N1CCN2C(=O)c3ccccc3C21c1ccc(Cl)cc1
InChIInChI=1S/C23H21ClN4O2/c1-3-28-20(14-15(2)25-28)22(30)27-13-12-26-21(29)18-6-4-5-7-19(18)23(26,27)16-8-10-17(24)11-9-16/h4-11,14H,3,12-13H2,1-2H3
InChIKeyILCFTYTWQZNTOR-UHFFFAOYSA-N
MW420.90 g/mol
LogP3.68
Rot. Bonds3

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

9b-(4-chlorophenyl)-1-(2-ethyl-5-methylpyrazole-3-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one (PubChem CID 59025840) has the molecular formula C23H21ClN4O2 and a molecular weight of 420.90 g/mol. Its IUPAC name is 9b-(4-chlorophenyl)-1-(2-ethyl-5-methylpyrazole-3-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one.

Molecular Properties

Compound Name9b-(4-chlorophenyl)-1-(2-ethyl-5-methylpyrazole-3-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
PubChem CID59025840
Molecular FormulaC23H21ClN4O2
Molecular Weight420.90 g/mol
Exact Mass420.14
IUPAC Name9b-(4-chlorophenyl)-1-(2-ethyl-5-methylpyrazole-3-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
SMILESCCn1nc(C)cc1C(=O)N1CCN2C(=O)c3ccccc3C21c1ccc(Cl)cc1
InChIInChI=1S/C23H21ClN4O2/c1-3-28-20(14-15(2)25-28)22(30)27-13-12-26-21(29)18-6-4-5-7-19(18)23(26,27)16-8-10-17(24)11-9-16/h4-11,14H,3,12-13H2,1-2H3
InChIKeyILCFTYTWQZNTOR-UHFFFAOYSA-N
XLogP3.68
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.90
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9b-(4-chlorophenyl)-1-(2-ethyl-5-methylpyrazole-3-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The IUPAC name of 9b-(4-chlorophenyl)-1-(2-ethyl-5-methylpyrazole-3-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one (CID 59025840) is 9b-(4-chlorophenyl)-1-(2-ethyl-5-methylpyrazole-3-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one.
What is the SMILES notation for 9b-(4-chlorophenyl)-1-(2-ethyl-5-methylpyrazole-3-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The canonical SMILES for 9b-(4-chlorophenyl)-1-(2-ethyl-5-methylpyrazole-3-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one is CCn1nc(C)cc1C(=O)N1CCN2C(=O)c3ccccc3C21c1ccc(Cl)cc1.
What is the InChIKey of 9b-(4-chlorophenyl)-1-(2-ethyl-5-methylpyrazole-3-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The InChIKey is ILCFTYTWQZNTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O2/c1-3-28-20(14-15(2)25-28)22(30)27-13-12-26-21(29)18-6-4-5-7-19(18)23(26,27)16-8-10-17(24)11-9-16/h4-11,14H,3,12-13H2,1-2H3.
What are the key properties of 9b-(4-chlorophenyl)-1-(2-ethyl-5-methylpyrazole-3-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
9b-(4-chlorophenyl)-1-(2-ethyl-5-methylpyrazole-3-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one has a molecular weight of 420.90 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9b-(4-chlorophenyl)-1-(2-ethyl-5-methylpyrazole-3-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one is sourced from PubChem (CID 59025840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).