Basic information
- CAS
79513-60-3- Standard SMILES
CCCOc1ccc2c(c1)nc1n2CCCN1C.O=C(O)/C=C/C(=O)O- InChIKey
DNWHQWGYBXUETF-WLHGVMLRSA-N- Molecular formula
- C18H23N3O5
- Average molar mass
- 361.4 g/mol
- Monoisotopic mass
- 361.16377084
Names & identifiers
- Preferred name
- Pyrimido(1,2-a)benzimidazole, 1,2,3,4-tetrahydro-1-methyl-8-propoxy-, maleate
- IUPAC
- (E)-but-2-enedioic acid;1-methyl-8-propoxy-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole
Names & synonyms
Pyrimido(1,2-a)benzimidazole, 1,2,3,4-tetrahydro-1-methyl-8-propoxy-, maleate79513-60-3RefChem:10975401-Methyl-8-propoxy-1,2,3,4-tetrahydropyrimido(1,2-a)benzimidazole maleate
Database identifiers
- CAS
79513-60-3- PubChem CID
- 6447643
Properties
Computed structural properties
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 405
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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