1-Amino-2-methyl-1H-benzo[d]imidazole-5-carboxylic acid
Basic information
- CAS
775250-03-8- Standard SMILES
Cc1nc2cc(C(=O)O)ccc2n1N- InChIKey
UIFBNVSNDLSOQD-UHFFFAOYSA-N- Molecular formula
- C9H9N3O2
- Average molar mass
- 191.19 g/mol
- Monoisotopic mass
- 191.06947654
Names & identifiers
- Preferred name
- 1-Amino-2-methyl-1H-benzo[d]imidazole-5-carboxylic acid
- IUPAC
- 1-amino-2-methylbenzimidazole-5-carboxylic acid
- English name
- 1H-Benzimidazole-5-carboxylicacid,1-amino-2-methyl-(9CI)
- Molecular formula
- C9H9N3O2
- Molecular weight
- 191.19
Names & synonyms
775250-03-81-Amino-2-methyl-1H-benzo[d]imidazole-5-carboxylic acidDTXSID006006601-Amino-2-methyl-1H-benzimidazole-5-carboxylic acid1-Amino-2-methyl-1H-1,3-benzimidazole-5-carboxylic acid1H-Benzimidazole-5-carboxylic acid, 1-amino-2-methyl-1H-Benzimidazole-5-carboxylicacid,1-amino-2-methyl-(9CI)
Database identifiers
- CAS
775250-03-8- PubChem CID
- 19858093
- DTXSID
DTXSID00600660
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 81.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 246
Physicochemical properties
- Boiling point
- 489.3 · 489.3±37.0 °C(Predicted)
- Density
- 1.51 · 1.51±0.1 g/cm3(Predicted)
- pka
- 3 · 3.00±0.30(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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