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Basic information
- Standard SMILES
CCC(c1ccc(Cl)c2nc3n(c12)CCCN3c1ccc(Cl)cc1Cl)n1ccnc1- InChIKey
MUMWOVRXFJCTOX-UHFFFAOYSA-N- Molecular formula
- C22H20Cl3N5
- Average molar mass
- 460.8 g/mol
- Monoisotopic mass
- 459.078429
Names & identifiers
- Preferred name
- 9-Chloro-1-(2,4-dichlorophenyl)-6-[1-(1H-imidazol-1-yl) propyl]-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole
- IUPAC
- 9-chloro-1-(2,4-dichlorophenyl)-6-(1-imidazol-1-ylpropyl)-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole
Names & synonyms
CHEMBL4224722SCHEMBL3752910MUMWOVRXFJCTOX-UHFFFAOYSA-NBDBM504601749-Chloro-1-(2,4-dichlorophenyl)-6-[1-(1H-imidazol-1-yl) propyl]-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole9-Chloro-1-(2,4-dichlorophenyl)-6-[1-(1H-imidazol-1-yl)propyl]-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole9-Chloro-1-(2,4-dichlorophenyl)-6[1-(1H-imidazol-1-yl) propyl]-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole
Database identifiers
- PubChem CID
- 57785779
- ChEMBL
CHEMBL4224722
Properties
Computed structural propertiesFilling in
- XLogP
- 6
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 597
Related reactions
2 records
Compound notes
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