1-(2-bromoethyl)-1,3-dihydro-2H-Benzimidazol-2-one
Basic information
- CAS
103784-03-8- Standard SMILES
O=c1[nH]c2ccccc2n1CCBr- InChIKey
KDJVKIGAWRJSJK-UHFFFAOYSA-N- Molecular formula
- C9H9BrN2O
- Average molar mass
- 241.08 g/mol
- Monoisotopic mass
- 239.98983
Names & identifiers
- Preferred name
- 1-(2-bromoethyl)-1,3-dihydro-2H-Benzimidazol-2-one
- IUPAC
- 3-(2-bromoethyl)-1H-benzimidazol-2-one
- English name
- 1-(2-bromoethyl)-1,3-dihydro-2H-Benzimidazol-2-one
- Molecular formula
- C9H9BrN2O
- Molecular weight
- 241.08
Names & synonyms
103784-03-81-(2-bromoethyl)-1,3-dihydro-2H-Benzimidazol-2-one3-(2-bromoethyl)-1H-benzimidazol-2-one2H-Benzimidazol-2-one, 1-(2-bromoethyl)-1,3-dihydro-1-(2-Bromoethyl)-1H-benzo[d]imidazol-2(3H)-oneMFCD279803981-(2-Bromoethyl)-1,3-dihydro-2H-benzo[d]imidazol-2-one1-(2-bromoethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-oneDR2SV4EW3ASCHEMBL7143500SCHEMBL30546561DTXSID30545494
Show more names
Bromoethyl-1,3-dihydro-benzoimidazol3-(2-bromoethyl)-1-H-benzimidazol-2-one1-(2-Bromoethyl)-2,3-dihydrobenzimidazol-2-one1-(2-bromoethyl)-1,3-dihydro-2H-benzenebenzoimidazole-2-one
KDJVKIGAWRJSJK-UHFFFAOYSA-NAKOS0305283231-(1-bromo-2-ethyl)-2-benzimidazoloneAS-69084DA-16055CS-0060601W16874F603241
Database identifiers
- CAS
103784-03-8- PubChem CID
- 13633448
- DTXSID
DTXSID30545494- UNII
- DR2SV4EW3A
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 210
Physicochemical properties
- Density
- 1.577 · 1.577±0.06 g/cm3(Predicted)
- pka
- 11.83 · 11.83±0.30(Predicted)
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Related reactions
6 records
Compound notes
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