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Basic information
- Standard SMILES
N#Cc1ccc(Cl)c2nc3n(c12)CCCN3c1ccc(Cl)cc1Cl- InChIKey
OBRFDUNWLMWKLC-UHFFFAOYSA-N- Molecular formula
- C17H11Cl3N4
- Average molar mass
- 377.6 g/mol
- Monoisotopic mass
- 376.004929
Names & identifiers
- Preferred name
- 9-Chloro-1-(2,4-dichlorophenyl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole-6-carbonitrile
- IUPAC
- 9-chloro-1-(2,4-dichlorophenyl)-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole-6-carbonitrile
Names & synonyms
SCHEMBL3759055OBRFDUNWLMWKLC-UHFFFAOYSA-N9-Chloro-1-(2,4-dichlorophenyl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole-6-carbonitrile
Database identifiers
- PubChem CID
- 57786116
Properties
Computed structural propertiesFilling in
- XLogP
- 5.1
- Topological polar surface area
- 44.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 523
Related reactions
4 records
Compound notes
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