{5-Imidazol-2-yl-4-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl}{2-[(5-nitro(2-pyridyl))amino]ethyl}amine

HCID 22143003
Substructure searchFind similar structures

Basic information

Standard SMILES
O=[N+]([O-])c1ccc(NCCNc2ncc(-c3ncc[nH]3)c(-c3ccc(C(F)(F)F)cc3)n2)nc1
InChIKey
FLOHXIWWARULOO-UHFFFAOYSA-N
Molecular formula
C21H17F3N8O2
Average molar mass
470.4 g/mol

Names & identifiers

Preferred name
{5-Imidazol-2-yl-4-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl}{2-[(5-nitro(2-pyridyl))amino]ethyl}amine
IUPAC
N'-[5-(1H-imidazol-2-yl)-4-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]-N-(5-nitro-2-pyridinyl)ethane-1,2-diamine

Names & synonyms

{5-imidazol-2-yl-4-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl}{2-[(5-nitro(2-pyridyl))amino]ethyl}amineSCHEMBL5023313

Database identifiers

PubChem CID
22143003

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
137 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
11
Rotatable bonds
7
Heavy atoms
34

Related reactions

4 records
New reaction record

Linked notes

Loading…