Basic information
- Standard SMILES
CN1CC(CCCl)c2nc3ccccc3n2C1=O- InChIKey
GGABRLDXJFPCRU-UHFFFAOYSA-N- Molecular formula
- C13H14ClN3O
- Average molar mass
- 263.72 g/mol
Names & identifiers
- Preferred name
- 4-(2-Chloroethyl)-3,4-dihydro-2-methylpyrimido[1,6-a]benzimidazol-1(2H)-one
- IUPAC
- 4-(2-chloroethyl)-2-methyl-3,4-dihydropyrimido[1,6-a]benzimidazol-1-one
Names & synonyms
SCHEMBL9868957GGABRLDXJFPCRU-UHFFFAOYSA-N4-(2-Chloroethyl)-3,4-dihydro-2-methylpyrimido[1,6-a]benzimidazol-1(2H)-one4-(2-chloroethyl)-3,4-dihydro-2-methylpyrimido[1,6-a]benzimidazole-1(2H)-one
Database identifiers
- PubChem CID
- 19989845
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 338
Related reactions
12 records
Compound notes
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