Basic information
- CAS
36596-94-8- Standard SMILES
Cc1ccc(S(=O)(=O)O)cc1.c1ccc2c(CC3=NCCN3)c[nH]c2c1- InChIKey
HKOMTKMXEJUHFO-UHFFFAOYSA-N- Molecular formula
- C19H21N3O3S
- Average molar mass
- 371.5 g/mol
- Monoisotopic mass
- 371.13036271
Overview
RN given refers to tosylate salt
Names & identifiers
- Preferred name
- Indole imidazoline
- IUPAC
- 3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-1H-indole;4-methylbenzenesulfonic acid
Names & synonyms
Indole imidazoline36596-94-8DTXSID90190080RefChem:148189DTXCID001125713-((2-imidazolin-2-yl)methyl)indole3-((4,5-dihydro-1H-imidazol-2-yl)methyl)-1H-indole3-((2-Imidazolin-2-yl)methyl)indole tosylate3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-1H-indole;4-methylbenzenesulfonic acid3-((4,5-Dihydro-1H-imidazol-2-yl)methyl)-1H-indole tosylate1H-Indole, 3-((4,5-dihydro-1H-imidazol-2-yl)methyl)-, mono(4-methylbenzenesulfonate)4-Methylbenzene-1-sulfonic acid--3-[(4,5-dihydro-1H-imidazol-2-yl)methyl]-1H-indole (1/1)
Database identifiers
- CAS
36596-94-8- PubChem CID
- 178154
- DTXSID
DTXSID90190080
Properties
Computed structural properties
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 468
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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