5-(1-adamantyloxymethyl)-2-(oxan-4-yl)-1H-imidazole

C19H28N2O2 — CID 141021576

IUPAC5-(1-adamantyloxymethyl)-2-(oxan-4-yl)-1H-imidazole
SMILESc1nc(C2CCOCC2)[nH]c1COC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H28N2O2/c1-3-22-4-2-16(1)18-20-11-17(21-18)12-23-19-8-13-5-14(9-19)7-15(6-13)10-19/h11,13-16H,1-10,12H2,(H,20,21)
InChIKeyOIVBUIFXALODRA-UHFFFAOYSA-N
MW316.45 g/mol
LogP3.79
Rot. Bonds4

About 5-(1-adamantyloxymethyl)-2-(oxan-4-yl)-1H-imidazole

5-(1-adamantyloxymethyl)-2-(oxan-4-yl)-1H-imidazole (PubChem CID 141021576) has the molecular formula C19H28N2O2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 5-(1-adamantyloxymethyl)-2-(oxan-4-yl)-1H-imidazole.

Molecular Properties

Compound Name5-(1-adamantyloxymethyl)-2-(oxan-4-yl)-1H-imidazole
PubChem CID141021576
Molecular FormulaC19H28N2O2
Molecular Weight316.45 g/mol
Exact Mass316.22
IUPAC Name5-(1-adamantyloxymethyl)-2-(oxan-4-yl)-1H-imidazole
SMILESc1nc(C2CCOCC2)[nH]c1COC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H28N2O2/c1-3-22-4-2-16(1)18-20-11-17(21-18)12-23-19-8-13-5-14(9-19)7-15(6-13)10-19/h11,13-16H,1-10,12H2,(H,20,21)
InChIKeyOIVBUIFXALODRA-UHFFFAOYSA-N
XLogP3.79
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-adamantyloxymethyl)-2-(oxan-4-yl)-1H-imidazole?
The IUPAC name of 5-(1-adamantyloxymethyl)-2-(oxan-4-yl)-1H-imidazole (CID 141021576) is 5-(1-adamantyloxymethyl)-2-(oxan-4-yl)-1H-imidazole.
What is the SMILES notation for 5-(1-adamantyloxymethyl)-2-(oxan-4-yl)-1H-imidazole?
The canonical SMILES for 5-(1-adamantyloxymethyl)-2-(oxan-4-yl)-1H-imidazole is c1nc(C2CCOCC2)[nH]c1COC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 5-(1-adamantyloxymethyl)-2-(oxan-4-yl)-1H-imidazole?
The InChIKey is OIVBUIFXALODRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-3-22-4-2-16(1)18-20-11-17(21-18)12-23-19-8-13-5-14(9-19)7-15(6-13)10-19/h11,13-16H,1-10,12H2,(H,20,21).
What are the key properties of 5-(1-adamantyloxymethyl)-2-(oxan-4-yl)-1H-imidazole?
5-(1-adamantyloxymethyl)-2-(oxan-4-yl)-1H-imidazole has a molecular weight of 316.45 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-adamantyloxymethyl)-2-(oxan-4-yl)-1H-imidazole is sourced from PubChem (CID 141021576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).