2-(1-benzothiophen-6-yl)-6-ethyl-3-methylidene-1H-isoindole

C19H17NS — CID 143783350

IUPAC2-(1-benzothiophen-6-yl)-6-ethyl-3-methylidene-1H-isoindole
SMILESC=C1c2ccc(CC)cc2CN1c1ccc2ccsc2c1
InChIInChI=1S/C19H17NS/c1-3-14-4-7-18-13(2)20(12-16(18)10-14)17-6-5-15-8-9-21-19(15)11-17/h4-11H,2-3,12H2,1H3
InChIKeyPLJZXNTZGIWKMW-UHFFFAOYSA-N
MW291.42 g/mol
LogP5.45
Rot. Bonds2

About 2-(1-benzothiophen-6-yl)-6-ethyl-3-methylidene-1H-isoindole

2-(1-benzothiophen-6-yl)-6-ethyl-3-methylidene-1H-isoindole (PubChem CID 143783350) has the molecular formula C19H17NS and a molecular weight of 291.42 g/mol. Its IUPAC name is 2-(1-benzothiophen-6-yl)-6-ethyl-3-methylidene-1H-isoindole.

Molecular Properties

Compound Name2-(1-benzothiophen-6-yl)-6-ethyl-3-methylidene-1H-isoindole
PubChem CID143783350
Molecular FormulaC19H17NS
Molecular Weight291.42 g/mol
Exact Mass291.11
IUPAC Name2-(1-benzothiophen-6-yl)-6-ethyl-3-methylidene-1H-isoindole
SMILESC=C1c2ccc(CC)cc2CN1c1ccc2ccsc2c1
InChIInChI=1S/C19H17NS/c1-3-14-4-7-18-13(2)20(12-16(18)10-14)17-6-5-15-8-9-21-19(15)11-17/h4-11H,2-3,12H2,1H3
InChIKeyPLJZXNTZGIWKMW-UHFFFAOYSA-N
XLogP5.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.42
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(1-benzothiophen-6-yl)-6-ethyl-3-methylidene-1H-isoindole with MolForge

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Related Compounds

5-ethyl-2-(3H-indol-5-yl)-3-methylidene-1H-isoindole
CID 89191170
5-(5-ethyl-3-methylidene-1H-isoindol-2-yl)-1-methyl-2-propylindole
CID 143783539
N-[4-(5-ethyl-3-methylidene-1H-isoindol-2-yl)-2-methylphenyl]ethanimine
CID 143783329
5-(4-ethylphenyl)-3-methylidene-2-(1-methylindol-5-yl)-1H-isoindole
CID 143783411
bis(carbon dioxide);2-chloro-6-ethyl-1-benzothiophene;6-ethyl-1-benzothiophene;methane
CID 158941797
2-(1H-indol-6-yl)-3-methylidene-5-(2-methylpropyl)-1H-isoindole
CID 89191157
[4-(1-benzothiophen-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]methanamine
CID 69000689
1-(1-benzothiophen-6-yl)-N-methylbutan-2-amine
CID 166940972
3-amino-4-(7-ethyl-4-oxo-1,3-dihydroisoquinolin-2-yl)cyclobut-3-ene-1,2-dione
CID 88577231
6-(naphthalen-2-ylmethyl)-1-benzothiophene
CID 123722451
1-(1-benzothiophen-5-yl)-3,3-diethylpiperazine-2,5-dione
CID 65452546
1-(1-benzothiophen-5-yl)piperazine-2,5-dione
CID 65451527

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-6-yl)-6-ethyl-3-methylidene-1H-isoindole?
The IUPAC name of 2-(1-benzothiophen-6-yl)-6-ethyl-3-methylidene-1H-isoindole (CID 143783350) is 2-(1-benzothiophen-6-yl)-6-ethyl-3-methylidene-1H-isoindole.
What is the SMILES notation for 2-(1-benzothiophen-6-yl)-6-ethyl-3-methylidene-1H-isoindole?
The canonical SMILES for 2-(1-benzothiophen-6-yl)-6-ethyl-3-methylidene-1H-isoindole is C=C1c2ccc(CC)cc2CN1c1ccc2ccsc2c1.
What is the InChIKey of 2-(1-benzothiophen-6-yl)-6-ethyl-3-methylidene-1H-isoindole?
The InChIKey is PLJZXNTZGIWKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NS/c1-3-14-4-7-18-13(2)20(12-16(18)10-14)17-6-5-15-8-9-21-19(15)11-17/h4-11H,2-3,12H2,1H3.
What are the key properties of 2-(1-benzothiophen-6-yl)-6-ethyl-3-methylidene-1H-isoindole?
2-(1-benzothiophen-6-yl)-6-ethyl-3-methylidene-1H-isoindole has a molecular weight of 291.42 g/mol, XLogP of 5.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-6-yl)-6-ethyl-3-methylidene-1H-isoindole is sourced from PubChem (CID 143783350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).