5-Hydroxy-1-methyl-2-aminobenzimidazole
Basic information
- CAS
90223-04-4- Standard SMILES
Cn1c(N)nc2cc(O)ccc21- InChIKey
AKOQAPNKMDKUDO-UHFFFAOYSA-N- Molecular formula
- C8H9N3O
- Average molar mass
- 163.18 g/mol
- Monoisotopic mass
- 163.07456192
Names & identifiers
- Preferred name
- 5-Hydroxy-1-methyl-2-aminobenzimidazole
- IUPAC
- 2-amino-1-methylbenzimidazol-5-ol
- English name
- 1H-Benzimidazol-5-ol,2-amino-1-methyl-(9CI)
- Molecular formula
- C8H9N3O
- Molecular weight
- 163.18
Names & synonyms
5-Hydroxy-1-methyl-2-aminobenzimidazole90223-04-42-amino-1-methylbenzimidazol-5-ol2-amino-1-methyl-1H-1,3-benzodiazol-5-olCCRIS 43652-Amino-1-methyl-1H-benzimidazol-5-ol4JXR4PV4GJSCHEMBL6185325DTXSID002380681H-Benzimidazol-5-ol, 2-amino-1-methyl-2-Amino-1-methyl-1H-1,3-benzimidazol-5-ol1H-Benzimidazol-5-ol,2-amino-1-methyl-(9CI)
Database identifiers
- CAS
90223-04-4- PubChem CID
- 150768
- DTXSID
DTXSID00238068- UNII
- 4JXR4PV4GJ
- Nikkaji
- J484.331B
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 64.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 176
Experimental & physicochemical properties
LogP0.31
Physicochemical properties
- Boiling point
- 419.5 · 419.5±37.0 °C(Predicted)
- Density
- 1.44 · 1.44±0.1 g/cm3(Predicted)
- pka
- 7.07 · 7.07±0.40(Predicted)
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Related reactions
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Compound notes
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