Basic information
- CAS
81186-18-7- Standard SMILES
CCCC(O)N(CN(CCCC(=O)O)C(=O)c1ccccc1)C1=NCCN1- InChIKey
GARHORUDOLGIOA-UHFFFAOYSA-N- Molecular formula
- C19H28N4O4
- Average molar mass
- 376.4 g/mol
- Monoisotopic mass
- 376.21105539
Names & identifiers
- Preferred name
- Butyric acid, 4-(benzoyl(((4,5-dihydro-1H-imidazol-2-yl)(1-hydroxybutyl)amino)methyl)amino)-
- IUPAC
- 4-[benzoyl-[[4,5-dihydro-1H-imidazol-2-yl(1-hydroxybutyl)amino]methyl]amino]butanoic acid
Names & synonyms
81186-18-74-(Benzoyl(((4,5-dihydro-1H-imidazol-2-yl)(1-hydroxybutyl)amino)methyl)amino)butyric acidButyric acid, 4-(benzoyl(((4,5-dihydro-1H-imidazol-2-yl)(1-hydroxybutyl)amino)methyl)amino)-RefChem:331298DTXSID9010018264-(Benzoyl{[(4,5-dihydro-1H-imidazol-2-yl)(1-hydroxybutyl)amino]methyl}amino)butanoic acid4-(N-{[(4,5-Dihydro-1H-imidazol-2-yl)(1-hydroxybutyl)amino]methyl}benzamido)butanoic acid
Database identifiers
- CAS
81186-18-7- PubChem CID
- 54698
- DTXSID
DTXSID901001826
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 520
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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