5-(1-adamantyloxymethyl)-2-cyclohexyl-1H-imidazole

C20H30N2O — CID 22500379

IUPAC5-(1-adamantyloxymethyl)-2-cyclohexyl-1H-imidazole
SMILESc1nc(C2CCCCC2)[nH]c1COC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H30N2O/c1-2-4-17(5-3-1)19-21-12-18(22-19)13-23-20-9-14-6-15(10-20)8-16(7-14)11-20/h12,14-17H,1-11,13H2,(H,21,22)
InChIKeyLMFQWKZKDNOVKY-UHFFFAOYSA-N
MW314.47 g/mol
LogP4.94
Rot. Bonds4

About 5-(1-adamantyloxymethyl)-2-cyclohexyl-1H-imidazole

5-(1-adamantyloxymethyl)-2-cyclohexyl-1H-imidazole (PubChem CID 22500379) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is 5-(1-adamantyloxymethyl)-2-cyclohexyl-1H-imidazole.

Molecular Properties

Compound Name5-(1-adamantyloxymethyl)-2-cyclohexyl-1H-imidazole
PubChem CID22500379
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC Name5-(1-adamantyloxymethyl)-2-cyclohexyl-1H-imidazole
SMILESc1nc(C2CCCCC2)[nH]c1COC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H30N2O/c1-2-4-17(5-3-1)19-21-12-18(22-19)13-23-20-9-14-6-15(10-20)8-16(7-14)11-20/h12,14-17H,1-11,13H2,(H,21,22)
InChIKeyLMFQWKZKDNOVKY-UHFFFAOYSA-N
XLogP4.94
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1-adamantyloxymethyl)-2-cyclohexyl-1H-imidazole?
The IUPAC name of 5-(1-adamantyloxymethyl)-2-cyclohexyl-1H-imidazole (CID 22500379) is 5-(1-adamantyloxymethyl)-2-cyclohexyl-1H-imidazole.
What is the SMILES notation for 5-(1-adamantyloxymethyl)-2-cyclohexyl-1H-imidazole?
The canonical SMILES for 5-(1-adamantyloxymethyl)-2-cyclohexyl-1H-imidazole is c1nc(C2CCCCC2)[nH]c1COC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 5-(1-adamantyloxymethyl)-2-cyclohexyl-1H-imidazole?
The InChIKey is LMFQWKZKDNOVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O/c1-2-4-17(5-3-1)19-21-12-18(22-19)13-23-20-9-14-6-15(10-20)8-16(7-14)11-20/h12,14-17H,1-11,13H2,(H,21,22).
What are the key properties of 5-(1-adamantyloxymethyl)-2-cyclohexyl-1H-imidazole?
5-(1-adamantyloxymethyl)-2-cyclohexyl-1H-imidazole has a molecular weight of 314.47 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-adamantyloxymethyl)-2-cyclohexyl-1H-imidazole is sourced from PubChem (CID 22500379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).