Basic information
- Standard SMILES
O=C1NCCN1CCNc1ncc(Cl)c(-c2cc3cccc(-c4ccncc4)c3s2)n1- InChIKey
VWCGJTFFADMLDZ-UHFFFAOYSA-N- Molecular formula
- C22H19ClN6OS
- Average molar mass
- 450.9 g/mol
- Monoisotopic mass
- 450.1029581
Names & identifiers
- Preferred name
- 1-(2-(5-Chloro-4-(7-(pyridin-4-yl)benzo[b]thiophen-2-yl)pyrimidin-2-ylamino)ethyl)imidazolidin-2-one
- IUPAC
- 1-[2-[[5-chloro-4-(7-pyridin-4-yl-1-benzothiophen-2-yl)pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one
Names & synonyms
SCHEMBL392643VWCGJTFFADMLDZ-UHFFFAOYSA-N1-(2-(5-Chloro-4-(7-(pyridin-4-yl)benzo[b]thiophen-2-yl)pyrimidin-2-ylamino)ethyl)imidazolidin-2-one
Database identifiers
- PubChem CID
- 24938006
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 623
Related reactions
1 records
Compound notes
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