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Basic information
- Standard SMILES
CCN(CC)c1ccc(Cl)c2nc3n(c12)CCCN3c1ccc(Cl)cc1Cl- InChIKey
FCLCWOFSMJBIJE-UHFFFAOYSA-N- Molecular formula
- C20H21Cl3N4
- Average molar mass
- 423.8 g/mol
- Monoisotopic mass
- 422.08318
Names & identifiers
- Preferred name
- 9-Chloro-1-(2,4-dichlorophenyl)-N,N-diethyl-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazol-6-amine
- IUPAC
- 9-chloro-1-(2,4-dichlorophenyl)-N,N-diethyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-6-amine
Names & synonyms
CHEMBL4225254SCHEMBL3751345FCLCWOFSMJBIJE-UHFFFAOYSA-NBDBM504601659-Chloro-1-(2,4-dichlorophenyl)-N,N-diethyl-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazol-6-amine
Database identifiers
- PubChem CID
- 57786006
- ChEMBL
CHEMBL4225254- Nikkaji
- J3.734.970D
Properties
Computed structural propertiesFilling in
- XLogP
- 6.3
- Topological polar surface area
- 24.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 506
Related reactions
2 records
Compound notes
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