1-benzofuran;1-benzothiophene;2H-isoindole

C24H19NOS — CID 161318272

IUPAC1-benzofuran;1-benzothiophene;2H-isoindole
SMILESc1ccc2c[nH]cc2c1.c1ccc2occc2c1.c1ccc2sccc2c1
InChIInChI=1S/C8H7N.C8H6O.C8H6S/c1-2-4-8-6-9-5-7(8)3-1;2*1-2-4-8-7(3-1)5-6-9-8/h1-6,9H;2*1-6H
InChIKeyVJUFSRBHFOGFNY-UHFFFAOYSA-N
MW369.49 g/mol
LogP7.50
Rot. Bonds

About 1-benzofuran;1-benzothiophene;2H-isoindole

1-benzofuran;1-benzothiophene;2H-isoindole (PubChem CID 161318272) has the molecular formula C24H19NOS and a molecular weight of 369.49 g/mol. Its IUPAC name is 1-benzofuran;1-benzothiophene;2H-isoindole.

Molecular Properties

Compound Name1-benzofuran;1-benzothiophene;2H-isoindole
PubChem CID161318272
Molecular FormulaC24H19NOS
Molecular Weight369.49 g/mol
Exact Mass369.12
IUPAC Name1-benzofuran;1-benzothiophene;2H-isoindole
SMILESc1ccc2c[nH]cc2c1.c1ccc2occc2c1.c1ccc2sccc2c1
InChIInChI=1S/C8H7N.C8H6O.C8H6S/c1-2-4-8-6-9-5-7(8)3-1;2*1-2-4-8-7(3-1)5-6-9-8/h1-6,9H;2*1-6H
InChIKeyVJUFSRBHFOGFNY-UHFFFAOYSA-N
XLogP7.50
TPSA28.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.49
LogP ≤ 57.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzofuran;1-benzothiophene;1H-indole;methane
CID 159295351
1-benzofuran;1-benzothiophene;1H-indazole;2H-isoindole;7H-purine;quinoline
CID 159084815
1-benzothiophene
CID 175697738
1-benzothiophene
CID 7221
benzene;1-benzofuran;methane
CID 161455380
1-benzothiophene;gadolinium;hydrochloride
CID 174939578
1-benzofuran;2-benzothiophene
CID 158166060
1-benzofuran;piperazine
CID 68691578
1-benzothiophene borate
CID 19601166
1-benzothiophene;thiophene
CID 67877268
1-benzofuran;carbon monoxide;chromium
CID 134899025
1-benzofuran;1-benzothiophene;ethane;1H-indene;heptakis(2-methylpropane);morpholine;oxane;bis(piperidine)
CID 159588577

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran;1-benzothiophene;2H-isoindole?
The IUPAC name of 1-benzofuran;1-benzothiophene;2H-isoindole (CID 161318272) is 1-benzofuran;1-benzothiophene;2H-isoindole.
What is the SMILES notation for 1-benzofuran;1-benzothiophene;2H-isoindole?
The canonical SMILES for 1-benzofuran;1-benzothiophene;2H-isoindole is c1ccc2c[nH]cc2c1.c1ccc2occc2c1.c1ccc2sccc2c1.
What is the InChIKey of 1-benzofuran;1-benzothiophene;2H-isoindole?
The InChIKey is VJUFSRBHFOGFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N.C8H6O.C8H6S/c1-2-4-8-6-9-5-7(8)3-1;2*1-2-4-8-7(3-1)5-6-9-8/h1-6,9H;2*1-6H.
What are the key properties of 1-benzofuran;1-benzothiophene;2H-isoindole?
1-benzofuran;1-benzothiophene;2H-isoindole has a molecular weight of 369.49 g/mol, XLogP of 7.50, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran;1-benzothiophene;2H-isoindole is sourced from PubChem (CID 161318272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).