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Basic information
- Standard SMILES
CCOC(c1ccc(Cl)c2nc3n(c12)CCCN3c1ccc(Cl)cc1Cl)C1CC1- InChIKey
HAFZNCDAIAFYQN-UHFFFAOYSA-N- Molecular formula
- C22H22Cl3N3O
- Average molar mass
- 450.8 g/mol
Names & identifiers
- Preferred name
- 9-Chloro-6-[cyclopropyl(ethoxy)methyl]-1-(2,4-dichlorophenyl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole
- IUPAC
- 9-chloro-6-[cyclopropyl(ethoxy)methyl]-1-(2,4-dichlorophenyl)-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole
Names & synonyms
SCHEMBL3763122HAFZNCDAIAFYQN-UHFFFAOYSA-N9-Chloro-6-[cyclopropyl(ethoxy)methyl]-1-(2,4-dichlorophenyl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole
Database identifiers
- PubChem CID
- 57786276
Properties
Computed structural propertiesFilling in
- XLogP
- 6.2
- Topological polar surface area
- 30.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 580
Related reactions
2 records
Compound notes
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