2-Carbamoyl-1-methylbenzimidazole
Basic information
- CAS
5805-75-4- Standard SMILES
Cn1c(C(N)=O)nc2ccccc21- InChIKey
FPVBBVKUKKJRSV-UHFFFAOYSA-N- Molecular formula
- C9H9N3O
- Average molar mass
- 175.19 g/mol
- Monoisotopic mass
- 175.07456192
Names & identifiers
- Preferred name
- 2-Carbamoyl-1-methylbenzimidazole
- IUPAC
- 1-methylbenzimidazole-2-carboxamide
- English name
- 1H-Benzimidazole-2-carboxamide,1-methyl-(9CI)
- Molecular formula
- C9H9N3O
- Molecular weight
- 175.19
Names & synonyms
1-methylbenzimidazole-2-carboxamide2-Carbamoyl-1-methylbenzimidazole5805-75-41-methyl-1H-1,3-benzodiazole-2-carboxamide1-Methyl-1H-benzimidazole-2-carboxamideCHEMBL446985SCHEMBL2676424SCHEMBL3208953SCHEMBL12505433SCHEMBL30444890FPVBBVKUKKJRSV-UHFFFAOYSA-NDTXSID901280098
Show more names
1-Methyl-benziMidazole-2-carboxaMid1H-Benzimidazole-2-carboxamide, 1-methyl-1H-Benzimidazole-2-carboxamide,1-methyl-(9CI)
EBC-13372AKOS0062429351-Methyl-1H-benzimidazole-2-carboxamide #EN300-6413626Z568468081-​Methylbenzimidazole-​2-​carboxamide
Database identifiers
- CAS
5805-75-4- PubChem CID
- 600256
- DTXSID
DTXSID901280098- ChEMBL
CHEMBL446985- Nikkaji
- J1.410.213B
Properties
Computed structural properties
- XLogP
- 0.5
- 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
Physicochemical properties
- Melting point
- 201 · 201-202 °C(Solv: acetone (67-64-1))
- Boiling point
- 384.6 · 384.6±25.0 °C(Predicted)
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- pka
- 15.52 · 15.52±0.30(Predicted)
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Related reactions
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Compound notes
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