Basic information
- CAS
177843-34-4- Standard SMILES
CCCCc1c(N)ccc2[nH]cnc12- InChIKey
RWQBHZWUZIYGSS-UHFFFAOYSA-N- Molecular formula
- C11H15N3
- Average molar mass
- 189.26 g/mol
- Monoisotopic mass
- 189.12659749
Names & identifiers
- Preferred name
- 1H-Benzimidazol-5-amine,4-butyl-(9CI)
- IUPAC
- 4-butyl-1H-benzimidazol-5-amine
- English name
- 1H-Benzimidazol-5-amine,4-butyl-(9CI)
- Molecular formula
- C11H15N3
- Molecular weight
- 189.2569
Names & synonyms
177843-34-44-butyl-1H-benzimidazol-5-amine1H-Benzimidazol-5-amine,4-butyl-(9CI)4-n-butyl-5-aminobenzimidazoleSCHEMBL7029416SCHEMBL7029421RWQBHZWUZIYGSS-UHFFFAOYSA-N
Database identifiers
- CAS
177843-34-4- PubChem CID
- 12968450
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 54.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 183
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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