4-[2-(1-methylindol-2-yl)ethyl]benzonitrile

C18H16N2 — CID 23296415

IUPAC4-[2-(1-methylindol-2-yl)ethyl]benzonitrile
SMILESCn1c(CCc2ccc(C#N)cc2)cc2ccccc21
InChIInChI=1S/C18H16N2/c1-20-17(12-16-4-2-3-5-18(16)20)11-10-14-6-8-15(13-19)9-7-14/h2-9,12H,10-11H2,1H3
InChIKeyFULPMRHDYKGYIS-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.84
Rot. Bonds3

About 4-[2-(1-methylindol-2-yl)ethyl]benzonitrile

4-[2-(1-methylindol-2-yl)ethyl]benzonitrile (PubChem CID 23296415) has the molecular formula C18H16N2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-[2-(1-methylindol-2-yl)ethyl]benzonitrile.

Molecular Properties

Compound Name4-[2-(1-methylindol-2-yl)ethyl]benzonitrile
PubChem CID23296415
Molecular FormulaC18H16N2
Molecular Weight260.34 g/mol
Exact Mass260.13
IUPAC Name4-[2-(1-methylindol-2-yl)ethyl]benzonitrile
SMILESCn1c(CCc2ccc(C#N)cc2)cc2ccccc21
InChIInChI=1S/C18H16N2/c1-20-17(12-16-4-2-3-5-18(16)20)11-10-14-6-8-15(13-19)9-7-14/h2-9,12H,10-11H2,1H3
InChIKeyFULPMRHDYKGYIS-UHFFFAOYSA-N
XLogP3.84
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-methylindol-2-yl)ethyl]benzonitrile?
The IUPAC name of 4-[2-(1-methylindol-2-yl)ethyl]benzonitrile (CID 23296415) is 4-[2-(1-methylindol-2-yl)ethyl]benzonitrile.
What is the SMILES notation for 4-[2-(1-methylindol-2-yl)ethyl]benzonitrile?
The canonical SMILES for 4-[2-(1-methylindol-2-yl)ethyl]benzonitrile is Cn1c(CCc2ccc(C#N)cc2)cc2ccccc21.
What is the InChIKey of 4-[2-(1-methylindol-2-yl)ethyl]benzonitrile?
The InChIKey is FULPMRHDYKGYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2/c1-20-17(12-16-4-2-3-5-18(16)20)11-10-14-6-8-15(13-19)9-7-14/h2-9,12H,10-11H2,1H3.
What are the key properties of 4-[2-(1-methylindol-2-yl)ethyl]benzonitrile?
4-[2-(1-methylindol-2-yl)ethyl]benzonitrile has a molecular weight of 260.34 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-methylindol-2-yl)ethyl]benzonitrile is sourced from PubChem (CID 23296415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).