Basic information
- Standard SMILES
Cc1ccc2[nH]c(-c3ccc(OCCCN4CCN(C)CC4)cc3Cl)nc2c1C- InChIKey
FKLHKZSFHAZKBD-UHFFFAOYSA-N- Molecular formula
- C23H29ClN4O
- Average molar mass
- 413 g/mol
Names & identifiers
- Preferred name
- 2-{2-Chloro-4-[3-(4-methyl-piperazin-1-yl)-propoxy]-phenyl}-4,5-dimethyl-1H-benzoimidazole
- IUPAC
- 2-[2-chloro-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-4,5-dimethyl-1H-benzimidazole
Names & synonyms
SCHEMBL605118CHEMBL219930BDBM225552-arylbenzimidazole derivative, 1FKLHKZSFHAZKBD-UHFFFAOYSA-N2-{2-Chloro-4-[3-(4-methyl-piperazin-1-yl)-propoxy]-phenyl}-4,5-dimethyl-1H-benzoimidazole2-{2-chloro-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl}-4,5-dimethyl-1H-1,3-benzodiazole
Database identifiers
- PubChem CID
- 11258458
- ChEMBL
CHEMBL219930
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 44.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 515
Related reactions
6 records
Compound notes
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