1-(1-adamantyl)-2-imidazol-1-ylethanol

C15H22N2O — CID 5276205

IUPAC1-(1-adamantyl)-2-imidazol-1-ylethanol
SMILESOC(Cn1ccnc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H22N2O/c18-14(9-17-2-1-16-10-17)15-6-11-3-12(7-15)5-13(4-11)8-15/h1-2,10-14,18H,3-9H2
InChIKeyCPYRWQXGEGGVIE-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.46
Rot. Bonds3

About 1-(1-adamantyl)-2-imidazol-1-ylethanol

1-(1-adamantyl)-2-imidazol-1-ylethanol (PubChem CID 5276205) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-(1-adamantyl)-2-imidazol-1-ylethanol.

Molecular Properties

Compound Name1-(1-adamantyl)-2-imidazol-1-ylethanol
PubChem CID5276205
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-(1-adamantyl)-2-imidazol-1-ylethanol
SMILESOC(Cn1ccnc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H22N2O/c18-14(9-17-2-1-16-10-17)15-6-11-3-12(7-15)5-13(4-11)8-15/h1-2,10-14,18H,3-9H2
InChIKeyCPYRWQXGEGGVIE-UHFFFAOYSA-N
XLogP2.46
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-Adamantyl)-3-imidazol-1-ylpropan-2-ol
CID 155555132
Cyclohexyl-(1-methylimidazol-2-yl)methanol
CID 13331154
(1-Butylimidazol-2-yl)-cyclohexylmethanol
CID 102490465
(1-Propylimidazol-2-yl)-[3-(trifluoromethyl)cyclohexyl]methanol
CID 105098454
(1-Methylimidazol-2-yl)-[3-(trifluoromethyl)cyclohexyl]methanol
CID 105098884
(1-Ethylimidazol-2-yl)-[3-(trifluoromethyl)cyclohexyl]methanol
CID 105099014
1-Cyclohexyl-2-imidazol-1-yl-4,4-dimethylpentan-3-ol
CID 13289772
alpha-(4,4-dimethylpentyl)-1H-imidazole-1-ethanol
CID 20039097
2-Imidazol-1-yl-1-(4-methylcyclohexyl)ethanol
CID 20282134
1-(4-Tert-butylcyclohexyl)-2-imidazol-1-ylethanol
CID 20282408
1-Cyclohexyl-2-imidazol-1-ylethanol
CID 20282494
4-Cyclohexyl-1-imidazol-1-ylbutan-2-ol
CID 20282603

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-2-imidazol-1-ylethanol?
The IUPAC name of 1-(1-adamantyl)-2-imidazol-1-ylethanol (CID 5276205) is 1-(1-adamantyl)-2-imidazol-1-ylethanol.
What is the SMILES notation for 1-(1-adamantyl)-2-imidazol-1-ylethanol?
The canonical SMILES for 1-(1-adamantyl)-2-imidazol-1-ylethanol is OC(Cn1ccnc1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-2-imidazol-1-ylethanol?
The InChIKey is CPYRWQXGEGGVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c18-14(9-17-2-1-16-10-17)15-6-11-3-12(7-15)5-13(4-11)8-15/h1-2,10-14,18H,3-9H2.
What are the key properties of 1-(1-adamantyl)-2-imidazol-1-ylethanol?
1-(1-adamantyl)-2-imidazol-1-ylethanol has a molecular weight of 246.35 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-2-imidazol-1-ylethanol is sourced from PubChem (CID 5276205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).