Basic information
- Standard SMILES
COc1nc(NCCNc2ncc(-c3ncc[nH]3)c(-c3ccc(Cl)cc3Cl)n2)ccc1[N+](=O)[O-]- InChIKey
WHEGVYLTBGGQAK-UHFFFAOYSA-N- Molecular formula
- C21H18Cl2N8O3
- Average molar mass
- 501.3 g/mol
Names & identifiers
- Preferred name
- [4-(2,4-Dichlorophenyl)-5-imidazol-2-ylpyrimidin-2-yl]{2-[(6-methoxy-5-nitro(2-pyridyl)) amino]ethyl}amine
- IUPAC
- N'-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)pyrimidin-2-yl]-N-(6-methoxy-5-nitro-2-pyridinyl)ethane-1,2-diamine
Names & synonyms
SCHEMBL4398418WHEGVYLTBGGQAK-UHFFFAOYSA-N[4-(2,4-dichlorophenyl)-5-imidazol -2-ylpyrimidin-2-yl]{2-[(6-methoxy-5-nitro(2-pyridyl))amino]ethyl}amine[4-(2,4-dichlorophenyl)-5-imidazol-2-ylpyrimidin-2-yl]{2-[(6-methoxy -5-nitro(2-pyridyl))amino]ethyl}amine[4-(2,4-dichlorophenyl)-5-imidazol-2-ylpyrimidin-2-yl]{2-[(6-methoxy-5-nitro(2-pyridyl)) amino]-ethyl}amine[4-(2,4-dichlorophenyl)-5-imidazol-2-ylpyrimidin-2-yl]{2-[(6-methoxy-5-nitro(2-pyridyl)) amino]ethyl}amine[4-(2,4-dichlorophenyl)-5-imidazol-2-ylpyrimidin-2-yl]{2-[(6-methoxy-5-nitro(2-pyridyl))-amino]ethyl}amine[4-(2,4-dichlorophenyl)-5-imidazol-2-ylpyrimidin-2-yl]{2-[(6-methoxy-5-nitro(2-pyridyl))amino]-ethyl}amine[4-(2,4-dichlorophenyl)-5-imidazol-2-ylpyrimidin-2-yl]{2-[(6-methoxy-5-nitro(2-pyridyl))amino]ethyl }amine[4-(2,4-dichlorophenyl)-5-imidazol-2-ylpyrimidin-2-yl]{2-[(6-methoxy-5-nitro(2-pyridyl))amino]ethyl}amine
Database identifiers
- PubChem CID
- 22142635
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 662
Related reactions
100 records
Linked notes
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