Basic information
- CAS
100037-06-7- Standard SMILES
Cc1ccc2c(c1)oc(=O)n2CCC(=O)c1ccc(NC2=NCC[NH2+]2)cc1.[I-]- InChIKey
QOXXFQDCNVISMD-UHFFFAOYSA-N- Molecular formula
- C20H21IN4O3
- Average molar mass
- 492.3 g/mol
- Monoisotopic mass
- 492.06584
Names & identifiers
- Preferred name
- 2(3H)-Benzoxazolone, 3-(3-(4-((4,5-dihydro-1H-imidazol-2-yl)amino)phenyl)-3-oxopropyl)-6-methyl-, monohydriodide
- IUPAC
- 3-[3-[4-(4,5-dihydro-1H-imidazol-1-ium-2-ylamino)phenyl]-3-oxopropyl]-6-methyl-1,3-benzoxazol-2-one iodide
Names & synonyms
100037-06-72-Benzoxazolinone, 3-(2-(p-(2-imidazolin-2-ylamino)benzoyl)ethyl)-6-methyl-, monohydriodide3-(2-(p-(2-Imidazolin-2-ylamino)benzoyl)ethyl)-6-methyl-2-benzoxazolinone hydriodide2(3H)-Benzoxazolone, 3-(3-(4-((4,5-dihydro-1H-imidazol-2-yl)amino)phenyl)-3-oxopropyl)-6-methyl-, monohydriodideRefChem:241511
Database identifiers
- CAS
100037-06-7- PubChem CID
- 57607
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
- 600
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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