2-(chloromethyl)-4-methoxy-1H-benzo[d]imidazole
Basic information
- CAS
405173-83-3- Standard SMILES
COc1cccc2[nH]c(CCl)nc12- InChIKey
GIDJQLYMQRJVPA-UHFFFAOYSA-N- Molecular formula
- C9H9ClN2O
- Average molar mass
- 196.63 g/mol
- Monoisotopic mass
- 196.0403406
Names & identifiers
- Preferred name
- 2-(chloromethyl)-4-methoxy-1H-benzo[d]imidazole
- IUPAC
- 2-(chloromethyl)-4-methoxy-1H-benzimidazole
- English name
- 1H-Benzimidazole,2-(chloromethyl)-4-methoxy-(9CI)
- Molecular formula
- C9H9ClN2O
- Molecular weight
- 196.63
Names & synonyms
405173-83-32-(chloromethyl)-4-methoxy-1H-benzo[d]imidazole2-(Chloromethyl)-7-methoxy-1H-benzo[d]imidazole2-(chloromethyl)-4-methoxy-1H-benzimidazole2-(chloromethyl)-4-methoxy-1H-1,3-benzodiazoleSCHEMBL4063142SCHEMBL30096716GIDJQLYMQRJVPA-UHFFFAOYSA-N2-chloromethyl-4-methoxy-1H-benzimidazoleCS-0059025D73133EN300-372936
Show more names
1H-Benzimidazole, 2-(chloromethyl)-7-methoxy-1H-Benzimidazole,2-(chloromethyl)-4-methoxy-(9CI)
2-(chloromethyl)-7-methoxy-1H-1,3-benzodiazole
Database identifiers
- CAS
405173-83-3- PubChem CID
- 22018753
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 37.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 179
Physicochemical properties
- Boiling point
- 405.4 · 405.4±25.0 °C(Predicted)
- Density
- 1.339 · 1.339±0.06 g/cm3(Predicted)
- pka
- 10.4 · 10.40±0.30(Predicted)
Related reactions
3 records
Compound notes
Loading…