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Basic information
- Standard SMILES
CCOC(=O)/C=C/c1ccc(Cl)c2nc3n(c12)CCCN3c1ccc(Cl)cc1Cl- InChIKey
XCDXMHAABKLLCT-WEVVVXLNSA-N- Molecular formula
- C21H18Cl3N3O2
- Average molar mass
- 450.7 g/mol
Names & identifiers
- Preferred name
- Ethyl (2E)-3-[9-chloro-1-(2,4-dichlorophenyl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazol-6-yl]prop-2-enoate
- IUPAC
- ethyl (E)-3-[9-chloro-1-(2,4-dichlorophenyl)-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-6-yl]prop-2-enoate
Names & synonyms
SCHEMBL13058241XCDXMHAABKLLCT-WEVVVXLNSA-NEthyl (2E)-3-[9-chloro-1-(2,4-dichlorophenyl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazol-6-yl]prop-2-enoate
Database identifiers
- PubChem CID
- 57786159
Properties
Computed structural propertiesFilling in
- XLogP
- 6
- Topological polar surface area
- 47.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 622
Related reactions
4 records
Compound notes
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