2-(azidomethyl)-1H-imidazole

C4H5N5 — CID 54050980

IUPAC2-(azidomethyl)-1H-imidazole
SMILES[N-]=[N+]=NCc1ncc[nH]1
InChIInChI=1S/C4H5N5/c5-9-8-3-4-6-1-2-7-4/h1-2H,3H2,(H,6,7)
InChIKeyLSVKTELZGPRGIJ-UHFFFAOYSA-N
MW123.12 g/mol
LogP1.22
Rot. Bonds2

About 2-(azidomethyl)-1H-imidazole

2-(azidomethyl)-1H-imidazole (PubChem CID 54050980) has the molecular formula C4H5N5 and a molecular weight of 123.12 g/mol. Its IUPAC name is 2-(azidomethyl)-1H-imidazole.

Molecular Properties

Compound Name2-(azidomethyl)-1H-imidazole
PubChem CID54050980
Molecular FormulaC4H5N5
Molecular Weight123.12 g/mol
Exact Mass123.05
IUPAC Name2-(azidomethyl)-1H-imidazole
SMILES[N-]=[N+]=NCc1ncc[nH]1
InChIInChI=1S/C4H5N5/c5-9-8-3-4-6-1-2-7-4/h1-2H,3H2,(H,6,7)
InChIKeyLSVKTELZGPRGIJ-UHFFFAOYSA-N
XLogP1.22
TPSA77.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.12
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 2-(azidomethyl)-1H-imidazole with MolForge

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

Launch Full Analysis

Related Compounds

Imidazole
CID 795
2-Methylimidazole
CID 12749
2-Ethylimidazole
CID 66130
2-Aminoimidazole
CID 82140
Imidazolium chloride
CID 10197644
2-Bromo-1H-imidazole
CID 2773261
4-iodo-1H-imidazole
CID 606522
1H-Imidazole, 2-(1-methylethyl)-
CID 123457
2-Propylimidazole
CID 162617
2-Mercapto-1-methylimidazole
CID 21989623
2-chloro-1H-imidazole
CID 2773328
N-methyl-1-(1-methyl-1H-imidazol-2-yl)methanamine
CID 4962631

Frequently Asked Questions

What is the IUPAC name of 2-(azidomethyl)-1H-imidazole?
The IUPAC name of 2-(azidomethyl)-1H-imidazole (CID 54050980) is 2-(azidomethyl)-1H-imidazole.
What is the SMILES notation for 2-(azidomethyl)-1H-imidazole?
The canonical SMILES for 2-(azidomethyl)-1H-imidazole is [N-]=[N+]=NCc1ncc[nH]1.
What is the InChIKey of 2-(azidomethyl)-1H-imidazole?
The InChIKey is LSVKTELZGPRGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N5/c5-9-8-3-4-6-1-2-7-4/h1-2H,3H2,(H,6,7).
What are the key properties of 2-(azidomethyl)-1H-imidazole?
2-(azidomethyl)-1H-imidazole has a molecular weight of 123.12 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azidomethyl)-1H-imidazole is sourced from PubChem (CID 54050980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).