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

C23H21ClN2O — CID 11164783

IUPAC3-[1-[2-(6-chloro-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
SMILESClc1ccc2c(CCN3CC=C(c4c[nH]c5ccccc45)CC3)coc2c1
InChIInChI=1S/C23H21ClN2O/c24-18-5-6-19-17(15-27-23(19)13-18)9-12-26-10-7-16(8-11-26)21-14-25-22-4-2-1-3-20(21)22/h1-7,13-15,25H,8-12H2
InChIKeyIUSZBOCLQGETQQ-UHFFFAOYSA-N
MW376.89 g/mol
LogP5.90
Rot. Bonds4

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

3-[1-[2-(6-chloro-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole (PubChem CID 11164783) has the molecular formula C23H21ClN2O and a molecular weight of 376.89 g/mol. Its IUPAC name is 3-[1-[2-(6-chloro-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole.

Molecular Properties

Compound Name3-[1-[2-(6-chloro-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
PubChem CID11164783
Molecular FormulaC23H21ClN2O
Molecular Weight376.89 g/mol
Exact Mass376.13
IUPAC Name3-[1-[2-(6-chloro-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
SMILESClc1ccc2c(CCN3CC=C(c4c[nH]c5ccccc45)CC3)coc2c1
InChIInChI=1S/C23H21ClN2O/c24-18-5-6-19-17(15-27-23(19)13-18)9-12-26-10-7-16(8-11-26)21-14-25-22-4-2-1-3-20(21)22/h1-7,13-15,25H,8-12H2
InChIKeyIUSZBOCLQGETQQ-UHFFFAOYSA-N
XLogP5.90
TPSA32.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.89
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(6-chloro-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
The IUPAC name of 3-[1-[2-(6-chloro-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole (CID 11164783) is 3-[1-[2-(6-chloro-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole.
What is the SMILES notation for 3-[1-[2-(6-chloro-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
The canonical SMILES for 3-[1-[2-(6-chloro-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole is Clc1ccc2c(CCN3CC=C(c4c[nH]c5ccccc45)CC3)coc2c1.
What is the InChIKey of 3-[1-[2-(6-chloro-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
The InChIKey is IUSZBOCLQGETQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O/c24-18-5-6-19-17(15-27-23(19)13-18)9-12-26-10-7-16(8-11-26)21-14-25-22-4-2-1-3-20(21)22/h1-7,13-15,25H,8-12H2.
What are the key properties of 3-[1-[2-(6-chloro-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
3-[1-[2-(6-chloro-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole has a molecular weight of 376.89 g/mol, XLogP of 5.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(6-chloro-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole is sourced from PubChem (CID 11164783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).