Butyric acid, 4-(benzoyl((cyclopentyl(4,5-dihydro-1H-imidazol-2-yl)amino)methyl)amino)-
Basic information
- CAS
81186-21-2- Standard SMILES
O=C(O)CCCN(CN(C1=NCCN1)C1CCCC1)C(=O)c1ccccc1- InChIKey
NIPSVSOVTLKTPQ-UHFFFAOYSA-N- Molecular formula
- C20H28N4O3
- Average molar mass
- 372.5 g/mol
- Monoisotopic mass
- 372.21614077
Names & identifiers
- Preferred name
- Butyric acid, 4-(benzoyl((cyclopentyl(4,5-dihydro-1H-imidazol-2-yl)amino)methyl)amino)-
- IUPAC
- 4-[benzoyl-[[cyclopentyl(4,5-dihydro-1H-imidazol-2-yl)amino]methyl]amino]butanoic acid
Names & synonyms
81186-21-2Butyric acid, 4-(benzoyl((cyclopentyl(4,5-dihydro-1H-imidazol-2-yl)amino)methyl)amino)-DTXSID002309264-(Benzoyl((cyclopentyl(4,5-dihydro-1H-imidazol-2-yl)amino)methyl)amino)butyric acidRefChem:331303DTXCID301534174-(N-{[Cyclopentyl(4,5-dihydro-1H-imidazol-2-yl)amino]methyl}benzamido)butanoic acid
Database identifiers
- CAS
81186-21-2- PubChem CID
- 54701
- DTXSID
DTXSID00230926
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 85.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 539
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Compound notes
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