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

C22H20N2 — CID 21770

IUPAC1-benzyl-3-(2-pyridin-4-ylethyl)indole
SMILESc1ccc(Cn2cc(CCc3ccncc3)c3ccccc32)cc1
InChIInChI=1S/C22H20N2/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
InChIKeyVRJCKJKZCZLXBK-UHFFFAOYSA-N
MW312.42 g/mol
LogP4.87
Rot. Bonds5

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

1-benzyl-3-(2-pyridin-4-ylethyl)indole (PubChem CID 21770) has the molecular formula C22H20N2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 1-benzyl-3-(2-pyridin-4-ylethyl)indole.

Molecular Properties

Compound Name1-benzyl-3-(2-pyridin-4-ylethyl)indole
PubChem CID21770
Molecular FormulaC22H20N2
Molecular Weight312.42 g/mol
Exact Mass312.16
IUPAC Name1-benzyl-3-(2-pyridin-4-ylethyl)indole
SMILESc1ccc(Cn2cc(CCc3ccncc3)c3ccccc32)cc1
InChIInChI=1S/C22H20N2/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
InChIKeyVRJCKJKZCZLXBK-UHFFFAOYSA-N
XLogP4.87
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 54.87
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?
The IUPAC name of 1-benzyl-3-(2-pyridin-4-ylethyl)indole (CID 21770) is 1-benzyl-3-(2-pyridin-4-ylethyl)indole.
What is the SMILES notation for 1-benzyl-3-(2-pyridin-4-ylethyl)indole?
The canonical SMILES for 1-benzyl-3-(2-pyridin-4-ylethyl)indole is c1ccc(Cn2cc(CCc3ccncc3)c3ccccc32)cc1.
What is the InChIKey of 1-benzyl-3-(2-pyridin-4-ylethyl)indole?
The InChIKey is VRJCKJKZCZLXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2/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.
What are the key properties of 1-benzyl-3-(2-pyridin-4-ylethyl)indole?
1-benzyl-3-(2-pyridin-4-ylethyl)indole has a molecular weight of 312.42 g/mol, XLogP of 4.87, 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 is sourced from PubChem (CID 21770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).