1,3-bis(2-hydroxyethyl)imidazole-2-selone

C7H12N2O2Se — CID 102443917

IUPAC1,3-bis(2-hydroxyethyl)imidazole-2-selone
SMILESOCCn1ccn(CCO)c1=[Se]
InChIInChI=1S/C7H12N2O2Se/c10-5-3-8-1-2-9(4-6-11)7(8)12/h1-2,10-11H,3-6H2
InChIKeyXEIRZISFTMXVMU-UHFFFAOYSA-N
MW235.14 g/mol
LogP-1.03
Rot. Bonds4

About 1,3-bis(2-hydroxyethyl)imidazole-2-selone

1,3-bis(2-hydroxyethyl)imidazole-2-selone (PubChem CID 102443917) has the molecular formula C7H12N2O2Se and a molecular weight of 235.14 g/mol. Its IUPAC name is 1,3-bis(2-hydroxyethyl)imidazole-2-selone.

Molecular Properties

Compound Name1,3-bis(2-hydroxyethyl)imidazole-2-selone
PubChem CID102443917
Molecular FormulaC7H12N2O2Se
Molecular Weight235.14 g/mol
Exact Mass236.01
IUPAC Name1,3-bis(2-hydroxyethyl)imidazole-2-selone
SMILESOCCn1ccn(CCO)c1=[Se]
InChIInChI=1S/C7H12N2O2Se/c10-5-3-8-1-2-9(4-6-11)7(8)12/h1-2,10-11H,3-6H2
InChIKeyXEIRZISFTMXVMU-UHFFFAOYSA-N
XLogP-1.03
TPSA50.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.14
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3-Hydroxyethyl-1-vinylimidazole
CID 57070894
1-(2-Hydroxyethyl)-3-methylimidazole
CID 57351561
1-(2-Hydroxyethyl)-3-methylimidazole-2-selone
CID 102443916
1,3-Bis(2-hydroxyethyl)imidazole-2-thione
CID 20440860
2-[3-(2-hydroxyethyl)-2H-imidazol-1-yl]ethanol
CID 57832174
2-[3-[[3-(2-hydroxyethyl)-2H-imidazol-1-yl]methyl]-2H-imidazol-1-yl]ethanol
CID 58221260
2-(2,3-dimethyl-2H-imidazol-1-yl)ethanol
CID 66763798
1-(3-methyl-2H-imidazol-1-yl)ethanol
CID 67490847
2-[2-(dimethylamino)-3-methyl-2H-imidazol-1-yl]ethanol
CID 68419011
2-(3-ethyl-2H-imidazol-1-yl)ethanol
CID 68799429
1,3-Bis(2-hydroxyethyl)imidazol-2-one
CID 69117995
CID 122210238
CID 122210238

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2-hydroxyethyl)imidazole-2-selone?
The IUPAC name of 1,3-bis(2-hydroxyethyl)imidazole-2-selone (CID 102443917) is 1,3-bis(2-hydroxyethyl)imidazole-2-selone.
What is the SMILES notation for 1,3-bis(2-hydroxyethyl)imidazole-2-selone?
The canonical SMILES for 1,3-bis(2-hydroxyethyl)imidazole-2-selone is OCCn1ccn(CCO)c1=[Se].
What is the InChIKey of 1,3-bis(2-hydroxyethyl)imidazole-2-selone?
The InChIKey is XEIRZISFTMXVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2Se/c10-5-3-8-1-2-9(4-6-11)7(8)12/h1-2,10-11H,3-6H2.
What are the key properties of 1,3-bis(2-hydroxyethyl)imidazole-2-selone?
1,3-bis(2-hydroxyethyl)imidazole-2-selone has a molecular weight of 235.14 g/mol, XLogP of -1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-hydroxyethyl)imidazole-2-selone is sourced from PubChem (CID 102443917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).