Basic information
- Standard SMILES
O=C(c1ncc[nH]1)N(Cc1ccc(CN2CCC3(CCN(Cc4cccs4)C3)C2)cc1)Cc1ncc[nH]1- InChIKey
YUNRWYMCLSJNIE-UHFFFAOYSA-N- Molecular formula
- C28H33N7OS
- Average molar mass
- 515.7 g/mol
- Monoisotopic mass
- 515.24672988
Names & identifiers
- Preferred name
- N-(1H-imidazol-2-ylmethyl)-N-(4-{[7-(2-thienylmethyl)-2,7-diazaspiro[4.4]non-2-yl]methyl}benzyl)-1H-imidazole-2-carboxamide
- IUPAC
- N-(1H-imidazol-2-ylmethyl)-N-[[4-[[2-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]phenyl]methyl]-1H-imidazole-2-carboxamide
Names & synonyms
SCHEMBL2697466YUNRWYMCLSJNIE-UHFFFAOYSA-NN-(1H-imidazol-2-ylmethyl)-N-(4-{[7-(2-thienylmethyl)-2,7-diazaspiro[4.4]non-2-yl]methyl}benzyl)-1H-imidazole-2-carboxamide
Database identifiers
- PubChem CID
- 57764679
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 765
Related reactions
3 records
Compound notes
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