2-(1-benzylimidazol-2-yl)acetonitrile

C12H11N3 — CID 817477

IUPAC2-(1-benzylimidazol-2-yl)acetonitrile
SMILESN#CCc1nccn1Cc1ccccc1
InChIInChI=1S/C12H11N3/c13-7-6-12-14-8-9-15(12)10-11-4-2-1-3-5-11/h1-5,8-9H,6,10H2
InChIKeyBMZHQSYXCWLVBE-UHFFFAOYSA-N
MW197.24 g/mol
LogP2.00
Rot. Bonds3

About 2-(1-benzylimidazol-2-yl)acetonitrile

2-(1-benzylimidazol-2-yl)acetonitrile (PubChem CID 817477) has the molecular formula C12H11N3 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-(1-benzylimidazol-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(1-benzylimidazol-2-yl)acetonitrile
PubChem CID817477
Molecular FormulaC12H11N3
Molecular Weight197.24 g/mol
Exact Mass197.10
IUPAC Name2-(1-benzylimidazol-2-yl)acetonitrile
SMILESN#CCc1nccn1Cc1ccccc1
InChIInChI=1S/C12H11N3/c13-7-6-12-14-8-9-15(12)10-11-4-2-1-3-5-11/h1-5,8-9H,6,10H2
InChIKeyBMZHQSYXCWLVBE-UHFFFAOYSA-N
XLogP2.00
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(1-benzylimidazol-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-(1-benzylimidazol-2-yl)acetonitrile?
The IUPAC name of 2-(1-benzylimidazol-2-yl)acetonitrile (CID 817477) is 2-(1-benzylimidazol-2-yl)acetonitrile.
What is the SMILES notation for 2-(1-benzylimidazol-2-yl)acetonitrile?
The canonical SMILES for 2-(1-benzylimidazol-2-yl)acetonitrile is N#CCc1nccn1Cc1ccccc1.
What is the InChIKey of 2-(1-benzylimidazol-2-yl)acetonitrile?
The InChIKey is BMZHQSYXCWLVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3/c13-7-6-12-14-8-9-15(12)10-11-4-2-1-3-5-11/h1-5,8-9H,6,10H2.
What are the key properties of 2-(1-benzylimidazol-2-yl)acetonitrile?
2-(1-benzylimidazol-2-yl)acetonitrile has a molecular weight of 197.24 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylimidazol-2-yl)acetonitrile is sourced from PubChem (CID 817477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).