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Basic information
- Standard SMILES
CCC(O)c1ccc(Cl)c2nc3n(c12)CCCN3c1cnc(N(C)C)cc1C- InChIKey
NRNUCWCAEJYIGD-UHFFFAOYSA-N- Molecular formula
- C21H26ClN5O
- Average molar mass
- 399.9 g/mol
- Monoisotopic mass
- 399.1825882
Names & identifiers
- Preferred name
- 1-{9-Chloro-1-[6-(dimethylamino)-4-methylpyridin-3-yl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazol-6-yl}propan-1-ol
- IUPAC
- 1-[9-chloro-1-[6-(dimethylamino)-4-methyl-3-pyridinyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-6-yl]propan-1-ol
Names & synonyms
1-{9-Chloro-1-[6-(dimethylamino)-4-methylpyridin-3-yl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazol-6-yl}propan-1-ol1-{9-chloro-1-[6-(dimethylamino)-4-methylpyridin-3-yl]-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazol-6-yl}propan-1-olSCHEMBL3758443NRNUCWCAEJYIGD-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 57786167
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 57.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 537
Related reactions
4 records
Compound notes
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