3-{4-[(2-Benzylamino-1-ethyl-1H-benzoimidazol-5-yl)-methyl-amino]-pyrimidin-2-ylamino}-benzenesulfonamide hydrochloride
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Basic information
- Standard SMILES
CCn1c(NCc2ccccc2)nc2cc(N(C)c3ccnc(Nc4cccc(S(N)(=O)=O)c4)n3)ccc21.Cl- InChIKey
MOJVMENQPLTFDM-UHFFFAOYSA-N- Molecular formula
- C27H29ClN8O2S
- Average molar mass
- 565.1 g/mol
- Monoisotopic mass
- 564.1822711
Names & identifiers
- Preferred name
- 3-{4-[(2-Benzylamino-1-ethyl-1H-benzoimidazol-5-yl)-methyl-amino]-pyrimidin-2-ylamino}-benzenesulfonamide hydrochloride
- IUPAC
- 3-[[4-[[2-(benzylamino)-1-ethylbenzimidazol-5-yl]-methylamino]pyrimidin-2-yl]amino]benzenesulfonamide;hydrochloride
Names & synonyms
SCHEMBL4978493MOJVMENQPLTFDM-UHFFFAOYSA-N3-{4-[(2-Benzylamino-1-ethyl-1H-benzoimidazol-5-yl)-methyl-amino]-pyrimidin-2-ylamino}-benzenesulfonamide hydrochloride
Database identifiers
- PubChem CID
- 10312016
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 851
Related reactions
1 records
Compound notes
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