1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-6-methylindole

C18H17NS — CID 116546719

IUPAC1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-6-methylindole
SMILESCc1ccc2ccn(CC3Cc4ccccc4S3)c2c1
InChIInChI=1S/C18H17NS/c1-13-6-7-14-8-9-19(17(14)10-13)12-16-11-15-4-2-3-5-18(15)20-16/h2-10,16H,11-12H2,1H3
InChIKeyNXGUJGHUHIREKV-UHFFFAOYSA-N
MW279.41 g/mol
LogP4.67
Rot. Bonds2

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

1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-6-methylindole (PubChem CID 116546719) has the molecular formula C18H17NS and a molecular weight of 279.41 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-6-methylindole.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-6-methylindole
PubChem CID116546719
Molecular FormulaC18H17NS
Molecular Weight279.41 g/mol
Exact Mass279.11
IUPAC Name1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-6-methylindole
SMILESCc1ccc2ccn(CC3Cc4ccccc4S3)c2c1
InChIInChI=1S/C18H17NS/c1-13-6-7-14-8-9-19(17(14)10-13)12-16-11-15-4-2-3-5-18(15)20-16/h2-10,16H,11-12H2,1H3
InChIKeyNXGUJGHUHIREKV-UHFFFAOYSA-N
XLogP4.67
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-ethylimidazol-2-one
CID 80582050
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methylpyrazole
CID 79223895
2-ethyl-2,3-dihydro-1-benzothiophene
CID 13010667
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3,5-dimethyl-1,2,4-triazole
CID 79349818
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methylimidazole-4-sulfonyl chloride
CID 79228734
[2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-5-methylphenyl]methanol
CID 79222757
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylindole
CID 116623048
5-(2,3-dihydro-1-benzothiophen-2-ylmethyl)thieno[3,2-c]pyridin-4-one
CID 116626857
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidine
CID 18545992
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)azocane
CID 79319950
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidin-4-ol
CID 79227966
1-(2,3-dihydro-1-benzothiophen-2-yl)-N-[(4,5-dimethylthiophen-2-yl)methyl]methanamine
CID 79222491

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-6-methylindole?
The IUPAC name of 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-6-methylindole (CID 116546719) is 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-6-methylindole.
What is the SMILES notation for 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-6-methylindole?
The canonical SMILES for 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-6-methylindole is Cc1ccc2ccn(CC3Cc4ccccc4S3)c2c1.
What is the InChIKey of 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-6-methylindole?
The InChIKey is NXGUJGHUHIREKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NS/c1-13-6-7-14-8-9-19(17(14)10-13)12-16-11-15-4-2-3-5-18(15)20-16/h2-10,16H,11-12H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-6-methylindole?
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-6-methylindole has a molecular weight of 279.41 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-6-methylindole is sourced from PubChem (CID 116546719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).