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

C24H19ClN2O2 — CID 3724239

IUPAC9b-(4-chlorophenyl)-1-(4-methylbenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
SMILESCc1ccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H19ClN2O2/c1-16-6-8-17(9-7-16)22(28)26-14-15-27-23(29)20-4-2-3-5-21(20)24(26,27)18-10-12-19(25)13-11-18/h2-13H,14-15H2,1H3
InChIKeyXOCSVAZNXJAYRP-UHFFFAOYSA-N
MW402.88 g/mol
LogP4.46
Rot. Bonds2

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

9b-(4-chlorophenyl)-1-(4-methylbenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one (PubChem CID 3724239) has the molecular formula C24H19ClN2O2 and a molecular weight of 402.88 g/mol. Its IUPAC name is 9b-(4-chlorophenyl)-1-(4-methylbenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one.

Molecular Properties

Compound Name9b-(4-chlorophenyl)-1-(4-methylbenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
PubChem CID3724239
Molecular FormulaC24H19ClN2O2
Molecular Weight402.88 g/mol
Exact Mass402.11
IUPAC Name9b-(4-chlorophenyl)-1-(4-methylbenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
SMILESCc1ccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H19ClN2O2/c1-16-6-8-17(9-7-16)22(28)26-14-15-27-23(29)20-4-2-3-5-21(20)24(26,27)18-10-12-19(25)13-11-18/h2-13H,14-15H2,1H3
InChIKeyXOCSVAZNXJAYRP-UHFFFAOYSA-N
XLogP4.46
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.88
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9b-(4-chlorophenyl)-1-(4-methylbenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The IUPAC name of 9b-(4-chlorophenyl)-1-(4-methylbenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one (CID 3724239) is 9b-(4-chlorophenyl)-1-(4-methylbenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one.
What is the SMILES notation for 9b-(4-chlorophenyl)-1-(4-methylbenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The canonical SMILES for 9b-(4-chlorophenyl)-1-(4-methylbenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one is Cc1ccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccc(Cl)cc2)cc1.
What is the InChIKey of 9b-(4-chlorophenyl)-1-(4-methylbenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The InChIKey is XOCSVAZNXJAYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2O2/c1-16-6-8-17(9-7-16)22(28)26-14-15-27-23(29)20-4-2-3-5-21(20)24(26,27)18-10-12-19(25)13-11-18/h2-13H,14-15H2,1H3.
What are the key properties of 9b-(4-chlorophenyl)-1-(4-methylbenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
9b-(4-chlorophenyl)-1-(4-methylbenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one has a molecular weight of 402.88 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9b-(4-chlorophenyl)-1-(4-methylbenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one is sourced from PubChem (CID 3724239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).