Basic information
- Standard SMILES
O=S(=O)(c1ccccc1)N1CCC(Cc2ccc(NC3=NCCN3)cc2)CC1- InChIKey
ISLTYTMRRBUKKF-UHFFFAOYSA-N- Molecular formula
- C21H26N4O2S
- Average molar mass
- 398.5 g/mol
Names & identifiers
- Preferred name
- 2-[4-(1-Benzenesulfonylpiperidin-4-ylmethyl)-phenyl]amino-imidazoline
- IUPAC
- N-[4-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]phenyl]-4,5-dihydro-1H-imidazol-2-amine
Names & synonyms
SCHEMBL5839520ISLTYTMRRBUKKF-UHFFFAOYSA-N2-[4-(1-benzenesulfonylpiperidin-4-ylmethyl)-phenyl]amino-imidazoline
Database identifiers
- PubChem CID
- 12094396
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 82.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 623
Related reactions
6 records
Compound notes
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