6-methyl-1H-benzo[d]imidazole-5-carbonitrile
Basic information
- CAS
952511-47-6- Standard SMILES
Cc1cc2[nH]cnc2cc1C#N- InChIKey
CGKBPDVAUAQRII-UHFFFAOYSA-N- Molecular formula
- C9H7N3
- Average molar mass
- 157.17 g/mol
- Monoisotopic mass
- 157.06399724
Names & identifiers
- Preferred name
- 6-methyl-1H-benzo[d]imidazole-5-carbonitrile
- IUPAC
- 6-methyl-1H-benzimidazole-5-carbonitrile
- English name
- 1H-Benzimidazole-6-carbonitrile, 5-methyl-
- Molecular formula
- C9H7N3
- Molecular weight
- 157.17
Names & synonyms
952511-47-66-methyl-1H-benzo[d]imidazole-5-carbonitrile5-METHYL-1H-BENZO[D]IMIDAZOLE-6-CARBONITRILE6-methyl-1H-benzimidazole-5-carbonitrilestarbld0018545SCHEMBL1797944SCHEMBL14722675SCHEMBL30798727DTXSID10669041CGKBPDVAUAQRII-UHFFFAOYSA-NSB146685-methyl-1H-benzimidazole-6-carbonitrile
Show more names
6-methyl-1H-1,3-benzodiazole-5-carbonitrile1H-Benzimidazole-6-carbonitrile, 5-methyl-
6-Methyl-1H-1,3-benzimidazole-5-carbonitrile
Database identifiers
- CAS
952511-47-6- PubChem CID
- 45120551
- DTXSID
DTXSID10669041
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 52.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 217
Physicochemical properties
- Boiling point
- 458.4 · 458.4±25.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- pka
- 10.13 · 10.13±0.30(Predicted)
Related reactions
1 records
Compound notes
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