Basic information
- CAS
100037-07-8- Standard SMILES
O=C(CCn1c(=O)oc2cc(Cl)ccc21)c1ccc(NC2=NCC[NH2+]2)cc1.[I-]- InChIKey
BRPYBKGMBVXUQE-UHFFFAOYSA-N- Molecular formula
- C19H18ClIN4O3
- Average molar mass
- 512.7 g/mol
- Monoisotopic mass
- 512.01122
Names & identifiers
- Preferred name
- 2(3H)-Benzoxazolone, 6-chloro-3-(3-(4-((4,5-dihydro-1H-imidazol-2-yl)amino)phenyl)-3-oxopropyl)-, monohydriodide
- IUPAC
- 6-chloro-3-[3-[4-(4,5-dihydro-1H-imidazol-1-ium-2-ylamino)phenyl]-3-oxopropyl]-1,3-benzoxazol-2-one iodide
Names & synonyms
100037-07-86-Chloro-3-(2-(p-(2-imidazolin-2-ylamino)benzoyl)ethyl)-2-benzoxazolinone hydriodide2-Benzoxazolinone, 6-chloro-3-(2-(p-(2-imidazolin-2-ylamino)benzoyl)ethyl)-, monohydriodide2(3H)-Benzoxazolone, 6-chloro-3-(3-(4-((4,5-dihydro-1H-imidazol-2-yl)amino)phenyl)-3-oxopropyl)-, monohydriodideRefChem:241584
Database identifiers
- CAS
100037-07-8- PubChem CID
- 57609
Properties
Computed structural properties
- Topological polar surface area
- 87.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 606
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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