2-Butyl-6-methyl-1H-benzimidazole
Basic information
- CAS
7479-04-1- Standard SMILES
CCCCc1nc2ccc(C)cc2[nH]1- InChIKey
PKWBIPJGJPPPOB-UHFFFAOYSA-N- Molecular formula
- C12H16N2
- Average molar mass
- 188.27 g/mol
- Monoisotopic mass
- 188.13134852
Names & identifiers
- Preferred name
- 2-Butyl-6-methyl-1H-benzimidazole
- IUPAC
- 2-butyl-6-methyl-1H-benzimidazole
- English name
- 1H-Benzimidazole,2-butyl-5-methyl-(9CI)
- Molecular formula
- C12H16N2
- Molecular weight
- 188.26884
Names & synonyms
2-butyl-6-methyl-1H-benzimidazole7479-04-1DTXSID90322581RefChem:258064DTXCID30273700NSC4015772-butyl-5-methylbenzi-midazoleSCHEMBL9720977SCHEMBL9720980AKOS002792666NSC-4015772-Butyl-6-methyl-1H-1,3-benzimidazole
Show more names
1H-Benzimidazole,2-butyl-5-methyl-(9CI)
Database identifiers
- CAS
7479-04-1- PubChem CID
- 344589
- DTXSID
DTXSID90322581- Nikkaji
- J1.120.871A
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 181
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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