Basic information
- Standard SMILES
C=CCn1c(Nc2cnc(N(C)C)cc2C)nc2c(Cl)ccc(C(CC)CC)c21- InChIKey
XVNGQNNWBZKKCQ-UHFFFAOYSA-N- Molecular formula
- C23H30ClN5
- Average molar mass
- 412 g/mol
- Monoisotopic mass
- 411.2189737
Names & identifiers
- Preferred name
- N5-[4-Chloro-7-(1-ethylpropyl)-1-prop-2-en-1-yl-1H-benzimidazol-2-yl]-N2,N2,4-trimethylpyridine-2,5-diamine
- IUPAC
- 5-N-(4-chloro-7-pentan-3-yl-1-prop-2-enylbenzimidazol-2-yl)-2-N,2-N,4-trimethylpyridine-2,5-diamine
Names & synonyms
SCHEMBL3754262XVNGQNNWBZKKCQ-UHFFFAOYSA-NN5-[4-Chloro-7-(1-ethylpropyl)-1-prop-2-en-1-yl-1H-benzimidazol-2-yl]-N2,N2,4-trimethylpyridine-2,5-diamine
Database identifiers
- PubChem CID
- 68773733
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 46 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 525
Related reactions
4 records
Compound notes
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