5-chloro-2-(((1-propyl-1H-imidazol-4-yl)methyl)thio)aniline

HCID 67972244
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Basic information

Standard SMILES
CCCn1cnc(CSc2ccc(Cl)cc2N)c1
InChIKey
KCHSYXUWGSNGSF-UHFFFAOYSA-N
Molecular formula
C13H16ClN3S
Average molar mass
281.8 g/mol
Monoisotopic mass
281.0753464

Names & identifiers

Preferred name
5-chloro-2-(((1-propyl-1H-imidazol-4-yl)methyl)thio)aniline
IUPAC
5-chloro-2-[(1-propylimidazol-4-yl)methylsulfanyl]aniline

Names & synonyms

SCHEMBL9933763KCHSYXUWGSNGSF-UHFFFAOYSA-N5-chloro-2-(((1-propyl-1H-imidazol-4-yl)methyl)thio)aniline

Database identifiers

PubChem CID
67972244

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
69.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
18

Related reactions

14 records
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Compound notes

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