2-(3-ethenyl-2H-imidazol-1-yl)acetonitrile;hydrobromide

C7H10BrN3 — CID 175320874

IUPAC2-(3-ethenyl-2H-imidazol-1-yl)acetonitrile;hydrobromide
SMILESBr.C=CN1C=CN(CC#N)C1
InChIInChI=1S/C7H9N3.BrH/c1-2-9-5-6-10(7-9)4-3-8;/h2,5-6H,1,4,7H2;1H
InChIKeyWTCQHZMBIKSVOW-UHFFFAOYSA-N
MW216.08 g/mol
LogP1.28
Rot. Bonds2

About 2-(3-ethenyl-2H-imidazol-1-yl)acetonitrile;hydrobromide

2-(3-ethenyl-2H-imidazol-1-yl)acetonitrile;hydrobromide (PubChem CID 175320874) has the molecular formula C7H10BrN3 and a molecular weight of 216.08 g/mol. Its IUPAC name is 2-(3-ethenyl-2H-imidazol-1-yl)acetonitrile;hydrobromide.

Molecular Properties

Compound Name2-(3-ethenyl-2H-imidazol-1-yl)acetonitrile;hydrobromide
PubChem CID175320874
Molecular FormulaC7H10BrN3
Molecular Weight216.08 g/mol
Exact Mass215.01
IUPAC Name2-(3-ethenyl-2H-imidazol-1-yl)acetonitrile;hydrobromide
SMILESBr.C=CN1C=CN(CC#N)C1
InChIInChI=1S/C7H9N3.BrH/c1-2-9-5-6-10(7-9)4-3-8;/h2,5-6H,1,4,7H2;1H
InChIKeyWTCQHZMBIKSVOW-UHFFFAOYSA-N
XLogP1.28
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.08
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

Analyze 2-(3-ethenyl-2H-imidazol-1-yl)acetonitrile;hydrobromide 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-(3-ethenyl-2H-imidazol-1-yl)acetonitrile;hydrobromide?
The IUPAC name of 2-(3-ethenyl-2H-imidazol-1-yl)acetonitrile;hydrobromide (CID 175320874) is 2-(3-ethenyl-2H-imidazol-1-yl)acetonitrile;hydrobromide.
What is the SMILES notation for 2-(3-ethenyl-2H-imidazol-1-yl)acetonitrile;hydrobromide?
The canonical SMILES for 2-(3-ethenyl-2H-imidazol-1-yl)acetonitrile;hydrobromide is Br.C=CN1C=CN(CC#N)C1.
What is the InChIKey of 2-(3-ethenyl-2H-imidazol-1-yl)acetonitrile;hydrobromide?
The InChIKey is WTCQHZMBIKSVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3.BrH/c1-2-9-5-6-10(7-9)4-3-8;/h2,5-6H,1,4,7H2;1H.
What are the key properties of 2-(3-ethenyl-2H-imidazol-1-yl)acetonitrile;hydrobromide?
2-(3-ethenyl-2H-imidazol-1-yl)acetonitrile;hydrobromide has a molecular weight of 216.08 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethenyl-2H-imidazol-1-yl)acetonitrile;hydrobromide is sourced from PubChem (CID 175320874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).