4-Methyl-2-propyl-1H-benzimidazole
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Basic information
- CAS
99840-45-6- Standard SMILES
CCCc1nc2c(C)cccc2[nH]1- InChIKey
KKECAJNLCGRKJL-UHFFFAOYSA-N- Molecular formula
- C11H14N2
- Average molar mass
- 174.247 g/mol
- Monoisotopic mass
- 174.11569845
Names & identifiers
- Preferred name
- 4-Methyl-2-propyl-1H-benzimidazole
- IUPAC
- 4-Methyl-2-propyl-1H-benzimidazole
- English name
- 1H-Benzimidazole,4-methyl-2-propyl-(9CI)
- Molecular formula
- C11H14N2
- Molecular weight
- 174.24
Names & synonyms
7-methyl-2-propyl-1H-Benzimidazole4-methyl-2-propyl-1H-benzimidazole1H-Benzimidazole, 7-methyl-2-propyl-1H-Benzimidazole,4-methyl-2-propyl-(9CI)
Database identifiers
- CAS
99840-45-6- PubChem CID
- 21995645
- DTXSID
DTXSID00621330- Nikkaji
- J3.385.931G
Properties
Computed structural propertiesFilling in
- XLogP
- 3
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 169
Physicochemical properties
- Melting point
- 107.74 °C · 107.74 °C
- Boiling point
- 363.6 · 363.6±11.0 °C(Predicted)
- Density
- 1.084 · 1.084±0.06 g/cm3(Predicted)
- pka
- 12.44 · 12.44±0.30(Predicted)
Related reactions
7 records
Compound notes
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