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Basic information
- Standard SMILES
CCC(O)c1ccc(Cl)c2nc3n(c12)CCCN3c1ccc(C(C)=O)cc1Cl- InChIKey
HHHYKUMTHYYYAE-UHFFFAOYSA-N- Molecular formula
- C21H21Cl2N3O2
- Average molar mass
- 418.3 g/mol
Names & identifiers
- Preferred name
- 1-{3-Chloro-4-[9-chloro-6-(1-hydroxypropyl)-3,4-dihydropyrimido[1,2-a]benzimidazol-1(2H)-yl]phenyl}ethanone
- IUPAC
- 1-[3-chloro-4-[9-chloro-6-(1-hydroxypropyl)-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl]phenyl]ethanone
Names & synonyms
SCHEMBL3758521HHHYKUMTHYYYAE-UHFFFAOYSA-N1-{3-Chloro-4-[9-chloro-6-(1-hydroxypropyl)-3,4-dihydropyrimido[1,2-a]benzimidazol-1(2H)-yl]phenyl}ethanone1-{3Chloro-4-[9-chloro-6-(1-hydroxypropyl)-3,4-dihydropyrimido[1,2-a]benzimidazol-1(2H)-yl]phenyl}ethanone
Database identifiers
- PubChem CID
- 57786233
Properties
Computed structural propertiesFilling in
- XLogP
- 4.5
- Topological polar surface area
- 58.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 580
Related reactions
4 records
Compound notes
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