2-[4-(1-adamantyl)-2-methylimidazol-1-yl]ethanol

C16H24N2O — CID 12006711

IUPAC2-[4-(1-adamantyl)-2-methylimidazol-1-yl]ethanol
SMILESCc1nc(C23CC4CC(CC(C4)C2)C3)cn1CCO
InChIInChI=1S/C16H24N2O/c1-11-17-15(10-18(11)2-3-19)16-7-12-4-13(8-16)6-14(5-12)9-16/h10,12-14,19H,2-9H2,1H3
InChIKeyPMNBNCUIVYIQGB-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.65
Rot. Bonds3

About 2-[4-(1-adamantyl)-2-methylimidazol-1-yl]ethanol

2-[4-(1-adamantyl)-2-methylimidazol-1-yl]ethanol (PubChem CID 12006711) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-[4-(1-adamantyl)-2-methylimidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(1-adamantyl)-2-methylimidazol-1-yl]ethanol
PubChem CID12006711
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-[4-(1-adamantyl)-2-methylimidazol-1-yl]ethanol
SMILESCc1nc(C23CC4CC(CC(C4)C2)C3)cn1CCO
InChIInChI=1S/C16H24N2O/c1-11-17-15(10-18(11)2-3-19)16-7-12-4-13(8-16)6-14(5-12)9-16/h10,12-14,19H,2-9H2,1H3
InChIKeyPMNBNCUIVYIQGB-UHFFFAOYSA-N
XLogP2.65
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-adamantyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 4286313
1,5-Bis(1-adamantyl)imidazole
CID 57341584
1-[2-(1-Adamantyl)ethyl]-2-n-butyl-5-hydroxymethyl-imidazole
CID 19936860
2-(1-Adamantyl)-1,5-dimethylimidazole
CID 57914142
[1-Methyl-5-(2-methylpropyl)imidazol-2-yl]methanol
CID 59843603
1,2,4-Tris(1-adamantyl)imidazole
CID 69224042
1-[2-Butan-2-yl-5-(2-methylpentyl)imidazol-1-yl]butan-2-ol
CID 91093411
2,4-Bis(1-adamantyl)imidazole-1-carboxylic acid
CID 126689003
5-(4-Tert-butylcyclohexyl)-1-cyclohexyl-2-(4-cyclohexylcyclohexyl)imidazole
CID 140496132
5-[2-(1-Adamantyl)ethyl]-2-cyclohexyl-1-methylimidazole
CID 141021654
1,2,3,4-Tetrakis(1-adamantyl)imidazol-1-ium acetate
CID 141709510
5-[2-(2-Adamantyl)ethyl]-1-methylimidazole
CID 148268132

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-adamantyl)-2-methylimidazol-1-yl]ethanol?
The IUPAC name of 2-[4-(1-adamantyl)-2-methylimidazol-1-yl]ethanol (CID 12006711) is 2-[4-(1-adamantyl)-2-methylimidazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-(1-adamantyl)-2-methylimidazol-1-yl]ethanol?
The canonical SMILES for 2-[4-(1-adamantyl)-2-methylimidazol-1-yl]ethanol is Cc1nc(C23CC4CC(CC(C4)C2)C3)cn1CCO.
What is the InChIKey of 2-[4-(1-adamantyl)-2-methylimidazol-1-yl]ethanol?
The InChIKey is PMNBNCUIVYIQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-11-17-15(10-18(11)2-3-19)16-7-12-4-13(8-16)6-14(5-12)9-16/h10,12-14,19H,2-9H2,1H3.
What are the key properties of 2-[4-(1-adamantyl)-2-methylimidazol-1-yl]ethanol?
2-[4-(1-adamantyl)-2-methylimidazol-1-yl]ethanol has a molecular weight of 260.38 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-adamantyl)-2-methylimidazol-1-yl]ethanol is sourced from PubChem (CID 12006711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).