3-[1-[2-(1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole

C23H22N2O — CID 11416598

IUPAC3-[1-[2-(1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
SMILESC1=C(c2c[nH]c3ccccc23)CCN(CCc2coc3ccccc23)C1
InChIInChI=1S/C23H22N2O/c1-3-7-22-20(6-1)21(15-24-22)17-9-12-25(13-10-17)14-11-18-16-26-23-8-4-2-5-19(18)23/h1-9,15-16,24H,10-14H2
InChIKeyXADLWMQBIFTFBT-UHFFFAOYSA-N
MW342.44 g/mol
LogP5.25
Rot. Bonds4

About 3-[1-[2-(1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole

3-[1-[2-(1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole (PubChem CID 11416598) has the molecular formula C23H22N2O and a molecular weight of 342.44 g/mol. Its IUPAC name is 3-[1-[2-(1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole.

Molecular Properties

Compound Name3-[1-[2-(1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
PubChem CID11416598
Molecular FormulaC23H22N2O
Molecular Weight342.44 g/mol
Exact Mass342.17
IUPAC Name3-[1-[2-(1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
SMILESC1=C(c2c[nH]c3ccccc23)CCN(CCc2coc3ccccc23)C1
InChIInChI=1S/C23H22N2O/c1-3-7-22-20(6-1)21(15-24-22)17-9-12-25(13-10-17)14-11-18-16-26-23-8-4-2-5-19(18)23/h1-9,15-16,24H,10-14H2
InChIKeyXADLWMQBIFTFBT-UHFFFAOYSA-N
XLogP5.25
TPSA32.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.44
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
The IUPAC name of 3-[1-[2-(1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole (CID 11416598) is 3-[1-[2-(1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole.
What is the SMILES notation for 3-[1-[2-(1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
The canonical SMILES for 3-[1-[2-(1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole is C1=C(c2c[nH]c3ccccc23)CCN(CCc2coc3ccccc23)C1.
What is the InChIKey of 3-[1-[2-(1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
The InChIKey is XADLWMQBIFTFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O/c1-3-7-22-20(6-1)21(15-24-22)17-9-12-25(13-10-17)14-11-18-16-26-23-8-4-2-5-19(18)23/h1-9,15-16,24H,10-14H2.
What are the key properties of 3-[1-[2-(1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
3-[1-[2-(1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole has a molecular weight of 342.44 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole is sourced from PubChem (CID 11416598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).