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

C29H22N2O3 — CID 71607099

IUPAC1-(4-phenoxybenzoyl)-9b-phenyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one
SMILESO=C(c1ccc(Oc2ccccc2)cc1)N1CCN2C(=O)c3ccccc3C12c1ccccc1
InChIInChI=1S/C29H22N2O3/c32-27(21-15-17-24(18-16-21)34-23-11-5-2-6-12-23)30-19-20-31-28(33)25-13-7-8-14-26(25)29(30,31)22-9-3-1-4-10-22/h1-18H,19-20H2
InChIKeyDPPLWQFRDSXWFR-UHFFFAOYSA-N
MW446.51 g/mol
LogP5.29
Rot. Bonds4

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

1-(4-phenoxybenzoyl)-9b-phenyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one (PubChem CID 71607099) has the molecular formula C29H22N2O3 and a molecular weight of 446.51 g/mol. Its IUPAC name is 1-(4-phenoxybenzoyl)-9b-phenyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one.

Molecular Properties

Compound Name1-(4-phenoxybenzoyl)-9b-phenyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one
PubChem CID71607099
Molecular FormulaC29H22N2O3
Molecular Weight446.51 g/mol
Exact Mass446.16
IUPAC Name1-(4-phenoxybenzoyl)-9b-phenyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one
SMILESO=C(c1ccc(Oc2ccccc2)cc1)N1CCN2C(=O)c3ccccc3C12c1ccccc1
InChIInChI=1S/C29H22N2O3/c32-27(21-15-17-24(18-16-21)34-23-11-5-2-6-12-23)30-19-20-31-28(33)25-13-7-8-14-26(25)29(30,31)22-9-3-1-4-10-22/h1-18H,19-20H2
InChIKeyDPPLWQFRDSXWFR-UHFFFAOYSA-N
XLogP5.29
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.51
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-phenoxybenzoyl)-9b-phenyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The IUPAC name of 1-(4-phenoxybenzoyl)-9b-phenyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one (CID 71607099) is 1-(4-phenoxybenzoyl)-9b-phenyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one.
What is the SMILES notation for 1-(4-phenoxybenzoyl)-9b-phenyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The canonical SMILES for 1-(4-phenoxybenzoyl)-9b-phenyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one is O=C(c1ccc(Oc2ccccc2)cc1)N1CCN2C(=O)c3ccccc3C12c1ccccc1.
What is the InChIKey of 1-(4-phenoxybenzoyl)-9b-phenyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The InChIKey is DPPLWQFRDSXWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N2O3/c32-27(21-15-17-24(18-16-21)34-23-11-5-2-6-12-23)30-19-20-31-28(33)25-13-7-8-14-26(25)29(30,31)22-9-3-1-4-10-22/h1-18H,19-20H2.
What are the key properties of 1-(4-phenoxybenzoyl)-9b-phenyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
1-(4-phenoxybenzoyl)-9b-phenyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one has a molecular weight of 446.51 g/mol, XLogP of 5.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenoxybenzoyl)-9b-phenyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one is sourced from PubChem (CID 71607099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).