1-benzyl-3-(2-pyridin-4-ylethyl)indole;hydrochloride

C22H21ClN2 — CID 24800211

IUPAC1-benzyl-3-(2-pyridin-4-ylethyl)indole;hydrochloride
SMILESCl.c1ccc(Cn2cc(CCc3ccncc3)c3ccccc32)cc1
InChIInChI=1S/C22H20N2.ClH/c1-2-6-19(7-3-1)16-24-17-20(21-8-4-5-9-22(21)24)11-10-18-12-14-23-15-13-18;/h1-9,12-15,17H,10-11,16H2;1H
InChIKeyFPHIGGMDBMWPDB-UHFFFAOYSA-N
MW348.88 g/mol
LogP5.29
Rot. Bonds5

About 1-benzyl-3-(2-pyridin-4-ylethyl)indole;hydrochloride

1-benzyl-3-(2-pyridin-4-ylethyl)indole;hydrochloride (PubChem CID 24800211) has the molecular formula C22H21ClN2 and a molecular weight of 348.88 g/mol. Its IUPAC name is 1-benzyl-3-(2-pyridin-4-ylethyl)indole;hydrochloride.

Molecular Properties

Compound Name1-benzyl-3-(2-pyridin-4-ylethyl)indole;hydrochloride
PubChem CID24800211
Molecular FormulaC22H21ClN2
Molecular Weight348.88 g/mol
Exact Mass348.14
IUPAC Name1-benzyl-3-(2-pyridin-4-ylethyl)indole;hydrochloride
SMILESCl.c1ccc(Cn2cc(CCc3ccncc3)c3ccccc32)cc1
InChIInChI=1S/C22H20N2.ClH/c1-2-6-19(7-3-1)16-24-17-20(21-8-4-5-9-22(21)24)11-10-18-12-14-23-15-13-18;/h1-9,12-15,17H,10-11,16H2;1H
InChIKeyFPHIGGMDBMWPDB-UHFFFAOYSA-N
XLogP5.29
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.88
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2-pyridin-4-ylethyl)indole;hydrochloride?
The IUPAC name of 1-benzyl-3-(2-pyridin-4-ylethyl)indole;hydrochloride (CID 24800211) is 1-benzyl-3-(2-pyridin-4-ylethyl)indole;hydrochloride.
What is the SMILES notation for 1-benzyl-3-(2-pyridin-4-ylethyl)indole;hydrochloride?
The canonical SMILES for 1-benzyl-3-(2-pyridin-4-ylethyl)indole;hydrochloride is Cl.c1ccc(Cn2cc(CCc3ccncc3)c3ccccc32)cc1.
What is the InChIKey of 1-benzyl-3-(2-pyridin-4-ylethyl)indole;hydrochloride?
The InChIKey is FPHIGGMDBMWPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2.ClH/c1-2-6-19(7-3-1)16-24-17-20(21-8-4-5-9-22(21)24)11-10-18-12-14-23-15-13-18;/h1-9,12-15,17H,10-11,16H2;1H.
What are the key properties of 1-benzyl-3-(2-pyridin-4-ylethyl)indole;hydrochloride?
1-benzyl-3-(2-pyridin-4-ylethyl)indole;hydrochloride has a molecular weight of 348.88 g/mol, XLogP of 5.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2-pyridin-4-ylethyl)indole;hydrochloride is sourced from PubChem (CID 24800211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).