Basic information
- CAS
81186-17-6- Standard SMILES
O=C(O)CCCN(CN(CCCO)C1=NCCN1)C(=O)c1ccccc1- InChIKey
DWJKHCPKJOPMFX-UHFFFAOYSA-N- Molecular formula
- C18H26N4O4
- Average molar mass
- 362.4 g/mol
- Monoisotopic mass
- 362.19540532
Names & identifiers
- Preferred name
- Butyric acid, 4-(benzoyl(((4,5-dihydro-1H-imidazol-2-yl)(3-hydroxypropyl)amino)methyl)amino)-
- IUPAC
- 4-[benzoyl-[[4,5-dihydro-1H-imidazol-2-yl(3-hydroxypropyl)amino]methyl]amino]butanoic acid
Names & synonyms
81186-17-6Butyric acid, 4-(benzoyl(((4,5-dihydro-1H-imidazol-2-yl)(3-hydroxypropyl)amino)methyl)amino)-DTXSID802309244-(Benzoyl(((4,5-dihydro-1H-imidazol-2-yl)(3-hydroxypropyl)amino)methyl)amino)butyric acidRefChem:331301DTXCID101534154-(N-{[(4,5-Dihydro-1H-imidazol-2-yl)(3-hydroxypropyl)amino]methyl}benzamido)butanoic acid
Database identifiers
- CAS
81186-17-6- PubChem CID
- 54697
- DTXSID
DTXSID80230924
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 492
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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