2-[(4-dipropylamino-butyl)-(4-{[(1H-imidazol-2-ylmethyl)-(1-methyl-1H-imidazol-2-ylmethyl)-amino]-methyl}-benzyl)-amino]-ethanol
Basic information
- Standard SMILES
CCCN(CCC)CCCCN(CCO)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1- InChIKey
FEPMJQULJFFXJP-UHFFFAOYSA-N- Molecular formula
- C29H47N7O
- Average molar mass
- 509.7 g/mol
- Monoisotopic mass
- 509.38420915
Names & identifiers
- Preferred name
- 2-[(4-dipropylamino-butyl)-(4-{[(1H-imidazol-2-ylmethyl)-(1-methyl-1H-imidazol-2-ylmethyl)-amino]-methyl}-benzyl)-amino]-ethanol
- IUPAC
- 2-[4-(dipropylamino)butyl-[[4-[[1H-imidazol-2-ylmethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]methyl]amino]ethanol
Names & synonyms
SCHEMBL1205301FEPMJQULJFFXJP-UHFFFAOYSA-N2-[(4-dipropylamino-butyl)-(4-{[(1H-imidazol-2-ylmethyl)-(1-methyl-1H-imidazol-2-ylmethyl)-amino]-methyl}-benzyl)-amino]-ethanol
Database identifiers
- PubChem CID
- 11540752
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 76.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 19
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 568
Related reactions
1 records
Compound notes
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