5-(1-benzothiophen-2-yl)-1H-indole

C16H11NS — CID 53408080

IUPAC5-(1-benzothiophen-2-yl)-1H-indole
SMILESc1ccc2sc(-c3ccc4[nH]ccc4c3)cc2c1
InChIInChI=1S/C16H11NS/c1-2-4-15-12(3-1)10-16(18-15)13-5-6-14-11(9-13)7-8-17-14/h1-10,17H
InChIKeyPHDNOIUJFAIQBO-UHFFFAOYSA-N
MW249.34 g/mol
LogP5.05
Rot. Bonds1

About 5-(1-benzothiophen-2-yl)-1H-indole

5-(1-benzothiophen-2-yl)-1H-indole (PubChem CID 53408080) has the molecular formula C16H11NS and a molecular weight of 249.34 g/mol. Its IUPAC name is 5-(1-benzothiophen-2-yl)-1H-indole.

Molecular Properties

Compound Name5-(1-benzothiophen-2-yl)-1H-indole
PubChem CID53408080
Molecular FormulaC16H11NS
Molecular Weight249.34 g/mol
Exact Mass249.06
IUPAC Name5-(1-benzothiophen-2-yl)-1H-indole
SMILESc1ccc2sc(-c3ccc4[nH]ccc4c3)cc2c1
InChIInChI=1S/C16H11NS/c1-2-4-15-12(3-1)10-16(18-15)13-5-6-14-11(9-13)7-8-17-14/h1-10,17H
InChIKeyPHDNOIUJFAIQBO-UHFFFAOYSA-N
XLogP5.05
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500249.34
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-[2-(1H-indol-5-yl)phenyl]-1H-indole
CID 102414263
1-(1-benzothiophen-2-yl)-1-(1H-indol-5-yl)ethanol
CID 114910892
2-chrysen-2-yl-1-benzothiophene
CID 58362123
2-(1-benzothiophen-2-yl)-9H-carbazole
CID 142748713
CID 59413459
CID 59413459
6-(1-benzothiophen-2-yl)-2-(1H-pyrrol-2-yl)-1H-benzimidazole
CID 137248275
(3E)-6-(1-benzothiophen-2-yl)-3-[6-(1-benzothiophen-2-yl)-2-oxo-1H-indol-3-ylidene]-1H-indol-2-one
CID 102341075
2-[4-(1-benzothiophen-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 146183527
4-(1-benzothiophen-2-yl)-N-[4-(1-benzothiophen-2-yl)phenyl]-N-phenylaniline
CID 58636103
6-(1-benzothiophen-2-yl)-1-chloronaphthalen-2-ol
CID 21075903
5-(4-tert-butylphenyl)-1H-indole
CID 16768580
N-[4-[4-(1-benzothiophen-2-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 164744811

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzothiophen-2-yl)-1H-indole?
The IUPAC name of 5-(1-benzothiophen-2-yl)-1H-indole (CID 53408080) is 5-(1-benzothiophen-2-yl)-1H-indole.
What is the SMILES notation for 5-(1-benzothiophen-2-yl)-1H-indole?
The canonical SMILES for 5-(1-benzothiophen-2-yl)-1H-indole is c1ccc2sc(-c3ccc4[nH]ccc4c3)cc2c1.
What is the InChIKey of 5-(1-benzothiophen-2-yl)-1H-indole?
The InChIKey is PHDNOIUJFAIQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NS/c1-2-4-15-12(3-1)10-16(18-15)13-5-6-14-11(9-13)7-8-17-14/h1-10,17H.
What are the key properties of 5-(1-benzothiophen-2-yl)-1H-indole?
5-(1-benzothiophen-2-yl)-1H-indole has a molecular weight of 249.34 g/mol, XLogP of 5.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzothiophen-2-yl)-1H-indole is sourced from PubChem (CID 53408080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).