2-(2-benzofuran-5-yl)-5-(1-benzothiophen-2-yl)isoindole

C24H15NOS — CID 138497412

IUPAC2-(2-benzofuran-5-yl)-5-(1-benzothiophen-2-yl)isoindole
SMILESc1ccc2sc(-c3ccc4cn(-c5ccc6cocc6c5)cc4c3)cc2c1
InChIInChI=1S/C24H15NOS/c1-2-4-23-16(3-1)11-24(27-23)17-5-6-18-12-25(13-20(18)9-17)22-8-7-19-14-26-15-21(19)10-22/h1-15H
InChIKeyPONGQWSJYXQUNN-UHFFFAOYSA-N
MW365.46 g/mol
LogP7.26
Rot. Bonds2

About 2-(2-benzofuran-5-yl)-5-(1-benzothiophen-2-yl)isoindole

2-(2-benzofuran-5-yl)-5-(1-benzothiophen-2-yl)isoindole (PubChem CID 138497412) has the molecular formula C24H15NOS and a molecular weight of 365.46 g/mol. Its IUPAC name is 2-(2-benzofuran-5-yl)-5-(1-benzothiophen-2-yl)isoindole.

Molecular Properties

Compound Name2-(2-benzofuran-5-yl)-5-(1-benzothiophen-2-yl)isoindole
PubChem CID138497412
Molecular FormulaC24H15NOS
Molecular Weight365.46 g/mol
Exact Mass365.09
IUPAC Name2-(2-benzofuran-5-yl)-5-(1-benzothiophen-2-yl)isoindole
SMILESc1ccc2sc(-c3ccc4cn(-c5ccc6cocc6c5)cc4c3)cc2c1
InChIInChI=1S/C24H15NOS/c1-2-4-23-16(3-1)11-24(27-23)17-5-6-18-12-25(13-20(18)9-17)22-8-7-19-14-26-15-21(19)10-22/h1-15H
InChIKeyPONGQWSJYXQUNN-UHFFFAOYSA-N
XLogP7.26
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.46
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-benzofuran-5-yl)-5-(1-benzothiophen-2-yl)isoindole?
The IUPAC name of 2-(2-benzofuran-5-yl)-5-(1-benzothiophen-2-yl)isoindole (CID 138497412) is 2-(2-benzofuran-5-yl)-5-(1-benzothiophen-2-yl)isoindole.
What is the SMILES notation for 2-(2-benzofuran-5-yl)-5-(1-benzothiophen-2-yl)isoindole?
The canonical SMILES for 2-(2-benzofuran-5-yl)-5-(1-benzothiophen-2-yl)isoindole is c1ccc2sc(-c3ccc4cn(-c5ccc6cocc6c5)cc4c3)cc2c1.
What is the InChIKey of 2-(2-benzofuran-5-yl)-5-(1-benzothiophen-2-yl)isoindole?
The InChIKey is PONGQWSJYXQUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15NOS/c1-2-4-23-16(3-1)11-24(27-23)17-5-6-18-12-25(13-20(18)9-17)22-8-7-19-14-26-15-21(19)10-22/h1-15H.
What are the key properties of 2-(2-benzofuran-5-yl)-5-(1-benzothiophen-2-yl)isoindole?
2-(2-benzofuran-5-yl)-5-(1-benzothiophen-2-yl)isoindole has a molecular weight of 365.46 g/mol, XLogP of 7.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzofuran-5-yl)-5-(1-benzothiophen-2-yl)isoindole is sourced from PubChem (CID 138497412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).