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1-tert-butyl-3-(2,3-dihydroxy-1-phenylpropyl)benzimidazol-2-one (HCID 178448708)|Huagongshe
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Compound
1-tert-butyl-3-(2,3-dihydroxy-1-phenylpropyl)benzimidazol-2-one
HCID
178448708
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Basic information
Names & identifiers
Properties
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Compound notes
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Basic information
Standard SMILES
CC(C)(C)n1c(=O)n(C(c2ccccc2)C(O)CO)c2ccccc21
InChIKey
CLQORNQTMRZGSO-UHFFFAOYSA-N
Molecular formula
C20H24N2O3
Average molar mass
340.4 g/mol
Monoisotopic mass
340.17869263
Names & identifiers
IUPAC
1-tert-butyl-3-(2,3-dihydroxy-1-phenylpropyl)benzimidazol-2-one
Database identifiers
PubChem CID
74976058
Properties
Computed structural properties
XLogP
2.1
Topological polar surface area
64 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
25
Formal charge
0
Complexity
470
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Related reactions
1 records
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As solvent
HRID
1540190
As product
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Compound notes
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