Basic information
- CAS
578708-03-9- Standard SMILES
Clc1cc2nc(C3CCNCC3)n(Cc3ccncc3)c2cc1Cl- InChIKey
BORHXPPYEHZCOI-UHFFFAOYSA-N- Molecular formula
- C18H18Cl2N4
- Average molar mass
- 361.3 g/mol
- Monoisotopic mass
- 360.090852
Names & identifiers
- Preferred name
- 1H-Benzimidazole, 5,6-dichloro-2-(4-piperidinyl)-1-(4-pyridinylmethyl)-
- IUPAC
- 5,6-dichloro-2-piperidin-4-yl-1-(pyridin-4-ylmethyl)benzimidazole
Names & synonyms
1H-Benzimidazole, 5,6-dichloro-2-(4-piperidinyl)-1-(4-pyridinylmethyl)-578708-03-9CHEMBL111605DTXSID103334975,6-dichloro-2-(4-piperidyl)-1-(4-pyridylmethyl)benzimidazole5,6-Dichloro-2-(piperidin-4-yl)-1-[(pyridin-4-yl)methyl]-1H-1,3-benzimidazole
Database identifiers
- CAS
578708-03-9- PubChem CID
- 508380
- DTXSID
DTXSID10333497- ChEMBL
CHEMBL111605- Nikkaji
- J2.053.348J
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 42.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 412
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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