4-(1-adamantyloxymethyl)-2-cyclohexyl-1-hydroxyimidazole

C20H30N2O2 — CID 141021590

IUPAC4-(1-adamantyloxymethyl)-2-cyclohexyl-1-hydroxyimidazole
SMILESOn1cc(COC23CC4CC(CC(C4)C2)C3)nc1C1CCCCC1
InChIInChI=1S/C20H30N2O2/c23-22-12-18(21-19(22)17-4-2-1-3-5-17)13-24-20-9-14-6-15(10-20)8-16(7-14)11-20/h12,14-17,23H,1-11,13H2
InChIKeyLVXMFCDPYRGVKC-UHFFFAOYSA-N
MW330.47 g/mol
LogP4.65
Rot. Bonds4

About 4-(1-adamantyloxymethyl)-2-cyclohexyl-1-hydroxyimidazole

4-(1-adamantyloxymethyl)-2-cyclohexyl-1-hydroxyimidazole (PubChem CID 141021590) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 4-(1-adamantyloxymethyl)-2-cyclohexyl-1-hydroxyimidazole.

Molecular Properties

Compound Name4-(1-adamantyloxymethyl)-2-cyclohexyl-1-hydroxyimidazole
PubChem CID141021590
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name4-(1-adamantyloxymethyl)-2-cyclohexyl-1-hydroxyimidazole
SMILESOn1cc(COC23CC4CC(CC(C4)C2)C3)nc1C1CCCCC1
InChIInChI=1S/C20H30N2O2/c23-22-12-18(21-19(22)17-4-2-1-3-5-17)13-24-20-9-14-6-15(10-20)8-16(7-14)11-20/h12,14-17,23H,1-11,13H2
InChIKeyLVXMFCDPYRGVKC-UHFFFAOYSA-N
XLogP4.65
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1-adamantyloxymethyl)-2-cyclohexyl-1-hydroxyimidazole?
The IUPAC name of 4-(1-adamantyloxymethyl)-2-cyclohexyl-1-hydroxyimidazole (CID 141021590) is 4-(1-adamantyloxymethyl)-2-cyclohexyl-1-hydroxyimidazole.
What is the SMILES notation for 4-(1-adamantyloxymethyl)-2-cyclohexyl-1-hydroxyimidazole?
The canonical SMILES for 4-(1-adamantyloxymethyl)-2-cyclohexyl-1-hydroxyimidazole is On1cc(COC23CC4CC(CC(C4)C2)C3)nc1C1CCCCC1.
What is the InChIKey of 4-(1-adamantyloxymethyl)-2-cyclohexyl-1-hydroxyimidazole?
The InChIKey is LVXMFCDPYRGVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c23-22-12-18(21-19(22)17-4-2-1-3-5-17)13-24-20-9-14-6-15(10-20)8-16(7-14)11-20/h12,14-17,23H,1-11,13H2.
What are the key properties of 4-(1-adamantyloxymethyl)-2-cyclohexyl-1-hydroxyimidazole?
4-(1-adamantyloxymethyl)-2-cyclohexyl-1-hydroxyimidazole has a molecular weight of 330.47 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-adamantyloxymethyl)-2-cyclohexyl-1-hydroxyimidazole is sourced from PubChem (CID 141021590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).