Imidazole-1-ethanol, alpha-(4-sec-butylphenyl)-, monohydrochloride

HCID 3064166

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Basic information

CAS: 101976-72-1
Standard SMILES: CCC(C)c1ccc(C(O)Cn2ccnc2)cc1.Cl
InChIKey: WRXFXMSPVDMHIR-UHFFFAOYSA-N
Molecular formula: C15H21ClN2O
Average molar mass: 280.79 g/mol
Monoisotopic mass: 280.134241

Names & identifiers

Preferred name: Imidazole-1-ethanol, alpha-(4-sec-butylphenyl)-, monohydrochloride
IUPAC: 1-(4-butan-2-ylphenyl)-2-imidazol-1-ylethanol;hydrochloride

Names & synonyms

N-(4-sec-Butyl-alpha-hydroxyphenethyl)imidazole hydrochloride101976-72-1Imidazole-1-ethanol, alpha-(4-sec-butylphenyl)-, monohydrochlorideRefChem:348896CHEMBL545351DTXSID409069511-[4-(Butan-2-yl)phenyl]-2-(1H-imidazol-1-yl)ethan-1-ol--hydrogen chloride (1/1)

Database identifiers

CAS: 101976-72-1
PubChem CID: 3064166
DTXSID: DTXSID40906951
ChEMBL: CHEMBL545351

Properties

Computed structural properties

Topological polar surface area: 38.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 19
Formal charge: 0
Complexity: 239

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