Basic information
- Standard SMILES
CCC(C#N)c1ccc(Cl)c2nc3n(c12)CCCN3c1ccc(Cl)cc1Cl- InChIKey
XZXSOZFHHMLWTA-UHFFFAOYSA-N- Molecular formula
- C20H17Cl3N4
- Average molar mass
- 419.7 g/mol
Names & identifiers
- Preferred name
- 2-[9-Chloro-1-(2,4-dichlorophenyl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazol-6-yl]butanenitrile
- IUPAC
- 2-[9-chloro-1-(2,4-dichlorophenyl)-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-6-yl]butanenitrile
Names & synonyms
CHEMBL4225575SCHEMBL3752856XZXSOZFHHMLWTA-UHFFFAOYSA-NBDBM504601642-[9-Chloro-1-(2,4-dichlorophenyl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazol-6-yl]butanenitrile
Database identifiers
- PubChem CID
- 57786313
- ChEMBL
CHEMBL4225575
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 44.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 581
Related reactions
2 records
Compound notes
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