1-[9-Chloro-1-(2,4-dichlorophenyl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazol-6-yl]prop-2-yn-1-ol
Basic information
- Standard SMILES
C#CC(O)c1ccc(Cl)c2nc3n(c12)CCCN3c1ccc(Cl)cc1Cl- InChIKey
MVQOQYYSGAWKGP-UHFFFAOYSA-N- Molecular formula
- C19H14Cl3N3O
- Average molar mass
- 406.7 g/mol
- Monoisotopic mass
- 405.020245
Names & identifiers
- Preferred name
- 1-[9-Chloro-1-(2,4-dichlorophenyl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazol-6-yl]prop-2-yn-1-ol
- IUPAC
- 1-[9-chloro-1-(2,4-dichlorophenyl)-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-6-yl]prop-2-yn-1-ol
Names & synonyms
SCHEMBL3753815MVQOQYYSGAWKGP-UHFFFAOYSA-N1-[9-Chloro-1-(2,4-dichlorophenyl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazol-6-yl]prop-2-yn-1-ol
Database identifiers
- PubChem CID
- 57786177
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 41.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 569
Related reactions
2 records
Compound notes
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