Basic information
- Standard SMILES
COC(=O)c1ccc(Cl)c2nc3n(c12)CCCN3c1c(Br)cc(OC)cc1Br- InChIKey
CXGQJCHZQPZQOK-UHFFFAOYSA-N- Molecular formula
- C19H16Br2ClN3O3
- Average molar mass
- 529.6 g/mol
Names & identifiers
- Preferred name
- Methyl 9-chloro-1-(2,6-dibromo-4-methoxyphenyl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole-6-carboxylate
- IUPAC
- methyl 9-chloro-1-(2,6-dibromo-4-methoxyphenyl)-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole-6-carboxylate
Names & synonyms
SCHEMBL3754133CXGQJCHZQPZQOK-UHFFFAOYSA-NMethyl 9-chloro-1-(2,6-dibromo-4-methoxyphenyl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole-6-carboxylate
Database identifiers
- PubChem CID
- 57786326
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 56.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 577
Related reactions
2 records
Compound notes
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