4(5)-(2-(4-Azido-2-nitroanilino)ethyl)imidazole

HCID 3036216

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Basic information

CAS: 83539-24-6
Standard SMILES: [N-]=[N+]=Nc1ccc(NCCc2cnc[nH]2)c([N+](=O)[O-])c1
InChIKey: HZACYBFVHSDRCB-UHFFFAOYSA-N
Molecular formula: C11H11N7O2
Average molar mass: 273.25 g/mol
Monoisotopic mass: 273.09742262

Overview

photoaffinity analog of histamine

Names & identifiers

Preferred name: 4(5)-(2-(4-Azido-2-nitroanilino)ethyl)imidazole
IUPAC: 4-azido-N-[2-(1H-imidazol-5-yl)ethyl]-2-nitroaniline
English name: 4(5)-(2-(4-azido-2-nitroanilino)ethyl)imidazole
Molecular formula: C11H11N7O2
Molecular weight: 273.26

Names & synonyms

4-Anaei4(5)-(2-(4-Azido-2-nitroanilino)ethyl)imidazole83539-24-6DTXSID702324321H-Imidazole-4-ethanamine, N-(4-azido-2-nitrophenyl)-RefChem:96107DTXCID701549234-azido-N-[2-(1H-imidazol-5-yl)ethyl]-2-nitroaniline

Database identifiers

CAS: 83539-24-6
PubChem CID: 3036216
DTXSID: DTXSID70232432

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 101 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 5
Heavy atoms: 20
Formal charge: 0
Complexity: 379

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