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4-(2-Cyclohexylethyl)-4-(thiophen-2-yl)-4H-imidazole-2,5-diol

HCID 46341
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Basic information

CAS
64011-58-1
Standard SMILES
O=C1NC(=O)C(CCC2CCCCC2)(c2cccs2)N1
InChIKey
YXVQHBULBXLMFC-UHFFFAOYSA-N
Molecular formula
C15H20N2O2S
Average molar mass
292.4 g/mol
Monoisotopic mass
292.12454906

Names & identifiers

Preferred name
4-(2-Cyclohexylethyl)-4-(thiophen-2-yl)-4H-imidazole-2,5-diol
IUPAC
5-(2-cyclohexylethyl)-5-thiophen-2-ylimidazolidine-2,4-dione
English name
5-(2-Cyclohexylethyl)-5-(2-thienyl)hydantoin
Molecular formula
C15H20N2O2S
Molecular weight
292.4

Names & synonyms

64011-58-1DTXSID109819324-(2-Cyclohexylethyl)-4-(thiophen-2-yl)-4H-imidazole-2,5-diolRefChem:1069820DTXCID0014091985-Cyclohexylethyl-5-(2-thienyl) hydantoin5-(2-Cyclohexylethyl)-5-(2-thienyl)hydantoinHYDANTOIN, 5-(2-CYCLOHEXYLETHYL)-5-(2-THIENYL)-DB-3168372,4-Imidazolidinedione, 5-(2-cyclohexylethyl)-5-(2-thienyl)-

Database identifiers

CAS
64011-58-1
PubChem CID
46341
DTXSID
DTXSID10981932
Nikkaji
J77.716A

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
86.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
20
Formal charge
0
Complexity
395

Physicochemical properties

Density
1.189 · 1.189±0.06 g/cm3(Predicted)
pka
8.41 · 8.41±0.10(Predicted)

Related reactions

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Compound notes

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