5-(1-adamantyloxymethyl)-2-cyclohexyl-1-methylimidazole

C21H32N2O — CID 141021641

IUPAC5-(1-adamantyloxymethyl)-2-cyclohexyl-1-methylimidazole
SMILESCn1c(COC23CC4CC(CC(C4)C2)C3)cnc1C1CCCCC1
InChIInChI=1S/C21H32N2O/c1-23-19(13-22-20(23)18-5-3-2-4-6-18)14-24-21-10-15-7-16(11-21)9-17(8-15)12-21/h13,15-18H,2-12,14H2,1H3
InChIKeyCTZBJLYCHVRHAR-UHFFFAOYSA-N
MW328.50 g/mol
LogP4.95
Rot. Bonds4

About 5-(1-adamantyloxymethyl)-2-cyclohexyl-1-methylimidazole

5-(1-adamantyloxymethyl)-2-cyclohexyl-1-methylimidazole (PubChem CID 141021641) has the molecular formula C21H32N2O and a molecular weight of 328.50 g/mol. Its IUPAC name is 5-(1-adamantyloxymethyl)-2-cyclohexyl-1-methylimidazole.

Molecular Properties

Compound Name5-(1-adamantyloxymethyl)-2-cyclohexyl-1-methylimidazole
PubChem CID141021641
Molecular FormulaC21H32N2O
Molecular Weight328.50 g/mol
Exact Mass328.25
IUPAC Name5-(1-adamantyloxymethyl)-2-cyclohexyl-1-methylimidazole
SMILESCn1c(COC23CC4CC(CC(C4)C2)C3)cnc1C1CCCCC1
InChIInChI=1S/C21H32N2O/c1-23-19(13-22-20(23)18-5-3-2-4-6-18)14-24-21-10-15-7-16(11-21)9-17(8-15)12-21/h13,15-18H,2-12,14H2,1H3
InChIKeyCTZBJLYCHVRHAR-UHFFFAOYSA-N
XLogP4.95
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-adamantyloxymethyl)-2-cyclohexyl-1-methylimidazole?
The IUPAC name of 5-(1-adamantyloxymethyl)-2-cyclohexyl-1-methylimidazole (CID 141021641) is 5-(1-adamantyloxymethyl)-2-cyclohexyl-1-methylimidazole.
What is the SMILES notation for 5-(1-adamantyloxymethyl)-2-cyclohexyl-1-methylimidazole?
The canonical SMILES for 5-(1-adamantyloxymethyl)-2-cyclohexyl-1-methylimidazole is Cn1c(COC23CC4CC(CC(C4)C2)C3)cnc1C1CCCCC1.
What is the InChIKey of 5-(1-adamantyloxymethyl)-2-cyclohexyl-1-methylimidazole?
The InChIKey is CTZBJLYCHVRHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O/c1-23-19(13-22-20(23)18-5-3-2-4-6-18)14-24-21-10-15-7-16(11-21)9-17(8-15)12-21/h13,15-18H,2-12,14H2,1H3.
What are the key properties of 5-(1-adamantyloxymethyl)-2-cyclohexyl-1-methylimidazole?
5-(1-adamantyloxymethyl)-2-cyclohexyl-1-methylimidazole has a molecular weight of 328.50 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-adamantyloxymethyl)-2-cyclohexyl-1-methylimidazole is sourced from PubChem (CID 141021641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).