Basic information
- Standard SMILES
COC(=O)c1ccc(Cl)c2nc3n(c12)CCCN3c1cnc(N(C)C)cc1C- InChIKey
ASFRBSJNZNIKCI-UHFFFAOYSA-N- Molecular formula
- C20H22ClN5O2
- Average molar mass
- 399.9 g/mol
Names & identifiers
- Preferred name
- Methyl 9-chloro-1-[6-(dimethylamino)-4-methylpyridin-3-yl]-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole-6-carboxylate
- IUPAC
- methyl 9-chloro-1-[6-(dimethylamino)-4-methyl-3-pyridinyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole-6-carboxylate
Names & synonyms
SCHEMBL3750567ASFRBSJNZNIKCI-UHFFFAOYSA-NMethyl 9-chloro-1-[6-(dimethylamino)-4-methylpyridin-3-yl]-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole-6-carboxylate
Database identifiers
- PubChem CID
- 57786377
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 63.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 579
Related reactions
4 records
Compound notes
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