5-(chloromethyl)-1H-benzo[d]imidazol-2(3H)-one
Basic information
- CAS
115576-98-2- Standard SMILES
O=c1[nH]c2ccc(CCl)cc2[nH]1- InChIKey
IQZSACWHKCETMI-UHFFFAOYSA-N- Molecular formula
- C8H7ClN2O
- Average molar mass
- 182.61 g/mol
Names & identifiers
- Preferred name
- 5-(chloromethyl)-1H-benzo[d]imidazol-2(3H)-one
- IUPAC
- 5-(chloromethyl)-1,3-dihydrobenzimidazol-2-one
- English name
- 2H-Benzimidazol-2-one,5-(chloromethyl)-1,3-dihydro-(9CI)
- Molecular formula
- C8H7ClN2O
- Molecular weight
- 182.61
Names & synonyms
115576-98-25-(chloromethyl)-1H-benzo[d]imidazol-2(3H)-one5-(Chloromethyl)benzimidazol-2(3H)-one5-(chloromethyl)-1,3-dihydrobenzimidazol-2-oneSCHEMBL3818109IQZSACWHKCETMI-UHFFFAOYSA-N2H-Benzimidazol-2-one,5-(chloromethyl)-1,3-dihydro-(9CI)MFCD18814473AKOS013400760SY3427755-(chloromethyl)-1,3-dihydro-2H-benzimidazol-2-one2H-Benzimidazol-2-one, 5-(chloromethyl)-1,3-dihydro-
Database identifiers
- CAS
115576-98-2
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 197
Physicochemical properties
- Boiling point
- 203.2 · 203.2±19.0 °C(Predicted)
- Density
- 1.354 · 1.354±0.06 g/cm3(Predicted)
- pka
- 11.86 · 11.86±0.30(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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