Basic information
- CAS
90564-71-9- Standard SMILES
Cn1cnc2cc(C(N)=O)ccc21- InChIKey
GCDGCOQSXIVIMI-UHFFFAOYSA-N- Molecular formula
- C9H9N3O
- Average molar mass
- 175.19 g/mol
- Monoisotopic mass
- 175.07456192
Names & identifiers
- Preferred name
- 1-Methylbenzimidazole-5-carboxamide
- IUPAC
- 1-methylbenzimidazole-5-carboxamide
- English name
- 5-Benzimidazolecarboxamide,1-methyl-(7CI)
- Molecular formula
- C9H9N3O
- Molecular weight
- 175.18726
Names & synonyms
90564-71-91-Methyl-1H-benzo[d]imidazole-5-carboxamide1-methylbenzimidazole-5-carboxamideSCHEMBL1299105SCHEMBL5981807DTXSID203594811-Methyl-1H-1,3-benzimidazole-5-carboxamide5-Benzimidazolecarboxamide,1-methyl-(7CI)
Database identifiers
- CAS
90564-71-9- PubChem CID
- 965327
- DTXSID
DTXSID20359481
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 60.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 219
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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