Basic information
- CAS
192696-36-9- Standard SMILES
COc1ccc2nc(C(C)C)[nH]c2c1- InChIKey
IAIIVKQZTWAAHF-UHFFFAOYSA-N- Molecular formula
- C11H14N2O
- Average molar mass
- 190.24 g/mol
- Monoisotopic mass
- 190.11061307
Names & identifiers
- Preferred name
- 6-methoxy-2-propan-2-yl-1H-benzimidazole
- IUPAC
- 6-methoxy-2-propan-2-yl-1H-benzimidazole
- English name
- 1H-Benzimidazole,5-methoxy-2-(1-methylethyl)-(9CI)
- Molecular formula
- C11H14N2O
- Molecular weight
- 190.24
Names & synonyms
192696-36-96-methoxy-2-(propan-2-yl)-1H-1,3-benzodiazole6-methoxy-2-propan-2-yl-1H-benzimidazole1H-Benzimidazole,5-methoxy-2-(1-methylethyl)-(9CI)SCHEMBL1460061SCHEMBL6978538IAIIVKQZTWAAHF-UHFFFAOYSA-N2-Isopropyl-5-methoxybenzimidazoleAKOS006278588AKOS0274016131H-Benzimidazole, 6-methoxy-2-(1-methylethyl)-
Database identifiers
- CAS
192696-36-9- PubChem CID
- 4162829
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 37.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 196
Physicochemical properties
- Melting point
- 130 · 130-131 °C
- Boiling point
- 371.1 · 371.1±15.0 °C(Predicted)
- Density
- 1.124 · 1.124±0.06 g/cm3(Predicted)
- pka
- 12.75 · 12.75±0.10(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
2 records
Compound notes
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