6-bromo-1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)indole

C17H14BrNS — CID 116622070

IUPAC6-bromo-1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)indole
SMILESBrc1ccc2ccn(CC3CSc4ccccc43)c2c1
InChIInChI=1S/C17H14BrNS/c18-14-6-5-12-7-8-19(16(12)9-14)10-13-11-20-17-4-2-1-3-15(13)17/h1-9,13H,10-11H2
InChIKeyHOWZIPIADOTPBR-UHFFFAOYSA-N
MW344.28 g/mol
LogP5.29
Rot. Bonds2

About 6-bromo-1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)indole

6-bromo-1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)indole (PubChem CID 116622070) has the molecular formula C17H14BrNS and a molecular weight of 344.28 g/mol. Its IUPAC name is 6-bromo-1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)indole.

Molecular Properties

Compound Name6-bromo-1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)indole
PubChem CID116622070
Molecular FormulaC17H14BrNS
Molecular Weight344.28 g/mol
Exact Mass343.00
IUPAC Name6-bromo-1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)indole
SMILESBrc1ccc2ccn(CC3CSc4ccccc43)c2c1
InChIInChI=1S/C17H14BrNS/c18-14-6-5-12-7-8-19(16(12)9-14)10-13-11-20-17-4-2-1-3-15(13)17/h1-9,13H,10-11H2
InChIKeyHOWZIPIADOTPBR-UHFFFAOYSA-N
XLogP5.29
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.28
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(5-bromo-2-chlorophenoxy)methyl]-2,3-dihydro-1-benzothiophene
CID 79220792
2-(bromomethyl)-1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)pyrrolidine
CID 80668670
3-bromo-8-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-8-azabicyclo[3.2.1]octane
CID 80668610
5-(2,3-dihydro-1-benzothiophen-3-ylmethyl)thieno[3,2-c]pyridin-4-one
CID 116626910
5-bromo-1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1,2,4-triazol-3-amine
CID 103098627
5-bromo-2-chloro-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)aniline
CID 79220622
(1S)-1-[4-bromo-2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]ethanol
CID 102949246
5-bromo-1-(cyclobutylmethyl)indole
CID 116619741
6-bromo-1-(4-phenylbutyl)indole
CID 114334825
4-bromo-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2,6-difluoroaniline
CID 79221398
N-[[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)imidazol-2-yl]methyl]propan-2-amine
CID 79221515
[5-bromo-2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]methanamine
CID 79223776

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)indole?
The IUPAC name of 6-bromo-1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)indole (CID 116622070) is 6-bromo-1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)indole.
What is the SMILES notation for 6-bromo-1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)indole?
The canonical SMILES for 6-bromo-1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)indole is Brc1ccc2ccn(CC3CSc4ccccc43)c2c1.
What is the InChIKey of 6-bromo-1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)indole?
The InChIKey is HOWZIPIADOTPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNS/c18-14-6-5-12-7-8-19(16(12)9-14)10-13-11-20-17-4-2-1-3-15(13)17/h1-9,13H,10-11H2.
What are the key properties of 6-bromo-1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)indole?
6-bromo-1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)indole has a molecular weight of 344.28 g/mol, XLogP of 5.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)indole is sourced from PubChem (CID 116622070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).