Basic information
- CAS
1293100-23-8- Standard SMILES
COc1cc2nc(-c3ccccc3I)[nH]c2cc1OC- InChIKey
BNFOTDIVYBQHDU-UHFFFAOYSA-N- Molecular formula
- C15H13IN2O2
- Average molar mass
- 380.18 g/mol
- Monoisotopic mass
- 380.00218
Names & identifiers
- Preferred name
- 2-(2-iodophenyl)-5,6-dimethoxy-1H-1,3-benzodiazole
- IUPAC
- 2-(2-iodophenyl)-5,6-dimethoxy-1H-benzimidazole
Names & synonyms
1293100-23-82-(2-iodophenyl)-5,6-dimethoxy-1H-1,3-benzodiazole2-(2-Iodophenyl)-5,6-dimethoxy-1H-benzo[d]imidazoleAKOS010622221EN300-27165208
Database identifiers
- CAS
1293100-23-8- PubChem CID
- 61364907
- EC Number
- 883-266-8
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 47.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 331
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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