1-((S)-1-((S)-2-(5-(4-bromophenyl)-1H-imidazol-2-yl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)thiourea

HCID 57610941
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)[C@H](NC(N)=S)C(=O)N1CCC[C@H]1c1ncc(-c2ccc(Br)cc2)[nH]1
InChIKey
XLOKNEXVIZJURF-HOTGVXAUSA-N
Molecular formula
C19H24BrN5OS
Average molar mass
450.4 g/mol
Monoisotopic mass
449.08849

Names & identifiers

Preferred name
1-((S)-1-((S)-2-(5-(4-bromophenyl)-1H-imidazol-2-yl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)thiourea
IUPAC
[(2S)-1-[(2S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]thiourea

Names & synonyms

SCHEMBL3421679XLOKNEXVIZJURF-HOTGVXAUSA-N1-((S)-1-((S)-2-(5-(4-bromophenyl)-1H-imidazol-2-yl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)thiourea

Database identifiers

PubChem CID
57610941

Properties

Computed structural properties

XLogP
3
Topological polar surface area
119 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
27

Related reactions

3 records
New reaction record

Linked notes

Loading…