MJ 9465-2

HCID 191024

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Basic information

CAS: 40658-97-7
Standard SMILES: Br.NC1=NCC(c2ccc(Cl)cc2)N1
InChIKey: QFCNBDDSKABBGM-UHFFFAOYSA-N
Molecular formula: C9H11BrClN3
Average molar mass: 276.56 g/mol
Monoisotopic mass: 274.98249

Overview

antidiuretic; structure

Names & identifiers

Preferred name: MJ 9465-2
IUPAC: 5-(4-chlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrobromide

Names & synonyms

40658-97-7MJ 9465-2RefChem:1591512-amino-4-(4-chlorophenyl)-2-imidazoline.HBr2-Amino-4-(4-chlorophenyl)-2-imidazoline hydrobromideDTXSID209610485-(4-chlorophenyl)-4,5-dihydro-1H-imidazol-2-amine hydrobromide4-(4-Chlorophenyl)imidazolidin-2-imine--hydrogen bromide (1/1)

Database identifiers

CAS: 40658-97-7
PubChem CID: 191024
DTXSID: DTXSID20961048

Properties

Computed structural properties

Topological polar surface area: 50.4 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 209

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