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

C24H19ClN2O3 — CID 59025917

IUPAC9b-(4-chlorophenyl)-1-(4-methoxybenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
SMILESCOc1ccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H19ClN2O3/c1-30-19-12-6-16(7-13-19)22(28)26-14-15-27-23(29)20-4-2-3-5-21(20)24(26,27)17-8-10-18(25)11-9-17/h2-13H,14-15H2,1H3
InChIKeyLYGSUKXHAHMWBC-UHFFFAOYSA-N
MW418.88 g/mol
LogP4.16
Rot. Bonds3

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

9b-(4-chlorophenyl)-1-(4-methoxybenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one (PubChem CID 59025917) has the molecular formula C24H19ClN2O3 and a molecular weight of 418.88 g/mol. Its IUPAC name is 9b-(4-chlorophenyl)-1-(4-methoxybenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one.

Molecular Properties

Compound Name9b-(4-chlorophenyl)-1-(4-methoxybenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
PubChem CID59025917
Molecular FormulaC24H19ClN2O3
Molecular Weight418.88 g/mol
Exact Mass418.11
IUPAC Name9b-(4-chlorophenyl)-1-(4-methoxybenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
SMILESCOc1ccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H19ClN2O3/c1-30-19-12-6-16(7-13-19)22(28)26-14-15-27-23(29)20-4-2-3-5-21(20)24(26,27)17-8-10-18(25)11-9-17/h2-13H,14-15H2,1H3
InChIKeyLYGSUKXHAHMWBC-UHFFFAOYSA-N
XLogP4.16
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.88
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9b-(4-chlorophenyl)-1-(4-methoxybenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The IUPAC name of 9b-(4-chlorophenyl)-1-(4-methoxybenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one (CID 59025917) is 9b-(4-chlorophenyl)-1-(4-methoxybenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one.
What is the SMILES notation for 9b-(4-chlorophenyl)-1-(4-methoxybenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The canonical SMILES for 9b-(4-chlorophenyl)-1-(4-methoxybenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one is COc1ccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccc(Cl)cc2)cc1.
What is the InChIKey of 9b-(4-chlorophenyl)-1-(4-methoxybenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The InChIKey is LYGSUKXHAHMWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2O3/c1-30-19-12-6-16(7-13-19)22(28)26-14-15-27-23(29)20-4-2-3-5-21(20)24(26,27)17-8-10-18(25)11-9-17/h2-13H,14-15H2,1H3.
What are the key properties of 9b-(4-chlorophenyl)-1-(4-methoxybenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
9b-(4-chlorophenyl)-1-(4-methoxybenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one has a molecular weight of 418.88 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9b-(4-chlorophenyl)-1-(4-methoxybenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one is sourced from PubChem (CID 59025917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).