2-((2-Chloroanilino)methyl)-2-imidazoline p-toluenesulfonate

HCID 20529068
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Basic information

Standard SMILES
Cc1ccc(S(=O)(=O)O)cc1.Clc1ccccc1NCC1=NCCN1
InChIKey
QCPSZOQTSVRHRM-UHFFFAOYSA-N
Molecular formula
C17H20ClN3O3S
Average molar mass
381.9 g/mol

Names & identifiers

Preferred name
2-((2-Chloroanilino)methyl)-2-imidazoline p-toluenesulfonate
IUPAC
2-chloro-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline;4-methylbenzenesulfonic acid

Names & synonyms

SCHEMBL11232303QCPSZOQTSVRHRM-UHFFFAOYSA-N2-((2-chloroanilino)methyl)-2-imidazoline p-toluenesulfonate

Database identifiers

PubChem CID
20529068

Properties

Computed structural properties

Topological polar surface area
99.2 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
25

Related reactions

1 records
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Linked notes

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