Basic information
- CAS
67249-51-8- Standard SMILES
Fc1cccc(Cl)c1C1CC2=NCCN2C1- InChIKey
VDDKWLCHDOJXJM-UHFFFAOYSA-N- Molecular formula
- C12H12ClFN2
- Average molar mass
- 238.69 g/mol
- Monoisotopic mass
- 238.0673042
Overview
potent antihypertensive with similar mechanism of action to clonidine; RN given refers to parent cpd; structure in first source
Names & identifiers
- Preferred name
- Ici 106270
- IUPAC
- 6-(2-chloro-6-fluorophenyl)-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-a]imidazole
Names & synonyms
Ici 10627067249-51-8Ici106270RefChem:147609ICI 106270 hydrobromide3H-Pyrrolo(1,2-a)imidazole, 6-(2-chloro-6-fluorophenyl)-2,5,6,7-tetrahydro-ICI-106270SCHEMBL9820076BDBM85232DTXSID409864306-(2-Chloro-6-fluorophenyl)-2,5,6,7-tetrahydro-3H-pyrrolo[1,2-a]imidazole6-(2-Chloro-6-fluorophenyl)-2,3,6,7-tetrahydro-5H-pyrrolo(1,2-a)imidazole hydrobromide
Show more names
CAS_67249-51-8
Database identifiers
- CAS
67249-51-8- PubChem CID
- 128761
- DTXSID
DTXSID40986430- Nikkaji
- J22.649A
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 15.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 307
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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