2-(5-naphthalen-1-yl-1H-imidazol-2-yl)acetonitrile

C15H11N3 — CID 116880096

IUPAC2-(5-naphthalen-1-yl-1H-imidazol-2-yl)acetonitrile
SMILESN#CCc1ncc(-c2cccc3ccccc23)[nH]1
InChIInChI=1S/C15H11N3/c16-9-8-15-17-10-14(18-15)13-7-3-5-11-4-1-2-6-12(11)13/h1-7,10H,8H2,(H,17,18)
InChIKeyKQPLEPTVEYQGTF-UHFFFAOYSA-N
MW233.27 g/mol
LogP3.30
Rot. Bonds2

About 2-(5-naphthalen-1-yl-1H-imidazol-2-yl)acetonitrile

2-(5-naphthalen-1-yl-1H-imidazol-2-yl)acetonitrile (PubChem CID 116880096) has the molecular formula C15H11N3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-(5-naphthalen-1-yl-1H-imidazol-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(5-naphthalen-1-yl-1H-imidazol-2-yl)acetonitrile
PubChem CID116880096
Molecular FormulaC15H11N3
Molecular Weight233.27 g/mol
Exact Mass233.10
IUPAC Name2-(5-naphthalen-1-yl-1H-imidazol-2-yl)acetonitrile
SMILESN#CCc1ncc(-c2cccc3ccccc23)[nH]1
InChIInChI=1S/C15H11N3/c16-9-8-15-17-10-14(18-15)13-7-3-5-11-4-1-2-6-12(11)13/h1-7,10H,8H2,(H,17,18)
InChIKeyKQPLEPTVEYQGTF-UHFFFAOYSA-N
XLogP3.30
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(5-naphthalen-1-yl-1H-imidazol-2-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-(5-naphthalen-1-yl-1H-imidazol-2-yl)acetonitrile?
The IUPAC name of 2-(5-naphthalen-1-yl-1H-imidazol-2-yl)acetonitrile (CID 116880096) is 2-(5-naphthalen-1-yl-1H-imidazol-2-yl)acetonitrile.
What is the SMILES notation for 2-(5-naphthalen-1-yl-1H-imidazol-2-yl)acetonitrile?
The canonical SMILES for 2-(5-naphthalen-1-yl-1H-imidazol-2-yl)acetonitrile is N#CCc1ncc(-c2cccc3ccccc23)[nH]1.
What is the InChIKey of 2-(5-naphthalen-1-yl-1H-imidazol-2-yl)acetonitrile?
The InChIKey is KQPLEPTVEYQGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3/c16-9-8-15-17-10-14(18-15)13-7-3-5-11-4-1-2-6-12(11)13/h1-7,10H,8H2,(H,17,18).
What are the key properties of 2-(5-naphthalen-1-yl-1H-imidazol-2-yl)acetonitrile?
2-(5-naphthalen-1-yl-1H-imidazol-2-yl)acetonitrile has a molecular weight of 233.27 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-naphthalen-1-yl-1H-imidazol-2-yl)acetonitrile is sourced from PubChem (CID 116880096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).