2-(4-benzylnaphthalen-1-yl)acetonitrile

C19H15N — CID 11054322

IUPAC2-(4-benzylnaphthalen-1-yl)acetonitrile
SMILESN#CCc1ccc(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C19H15N/c20-13-12-16-10-11-17(14-15-6-2-1-3-7-15)19-9-5-4-8-18(16)19/h1-11H,12,14H2
InChIKeyBWZRNOSTCCVLMO-UHFFFAOYSA-N
MW257.34 g/mol
LogP4.50
Rot. Bonds3

About 2-(4-benzylnaphthalen-1-yl)acetonitrile

2-(4-benzylnaphthalen-1-yl)acetonitrile (PubChem CID 11054322) has the molecular formula C19H15N and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-(4-benzylnaphthalen-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(4-benzylnaphthalen-1-yl)acetonitrile
PubChem CID11054322
Molecular FormulaC19H15N
Molecular Weight257.34 g/mol
Exact Mass257.12
IUPAC Name2-(4-benzylnaphthalen-1-yl)acetonitrile
SMILESN#CCc1ccc(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C19H15N/c20-13-12-16-10-11-17(14-15-6-2-1-3-7-15)19-9-5-4-8-18(16)19/h1-11H,12,14H2
InChIKeyBWZRNOSTCCVLMO-UHFFFAOYSA-N
XLogP4.50
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(4-benzylnaphthalen-1-yl)acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylnaphthalen-1-yl)acetonitrile?
The IUPAC name of 2-(4-benzylnaphthalen-1-yl)acetonitrile (CID 11054322) is 2-(4-benzylnaphthalen-1-yl)acetonitrile.
What is the SMILES notation for 2-(4-benzylnaphthalen-1-yl)acetonitrile?
The canonical SMILES for 2-(4-benzylnaphthalen-1-yl)acetonitrile is N#CCc1ccc(Cc2ccccc2)c2ccccc12.
What is the InChIKey of 2-(4-benzylnaphthalen-1-yl)acetonitrile?
The InChIKey is BWZRNOSTCCVLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N/c20-13-12-16-10-11-17(14-15-6-2-1-3-7-15)19-9-5-4-8-18(16)19/h1-11H,12,14H2.
What are the key properties of 2-(4-benzylnaphthalen-1-yl)acetonitrile?
2-(4-benzylnaphthalen-1-yl)acetonitrile has a molecular weight of 257.34 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylnaphthalen-1-yl)acetonitrile is sourced from PubChem (CID 11054322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).