1-(5-hydroxy-2-adamantyl)-3-methyl-4-propan-2-ylimidazolidin-2-one

C17H28N2O2 — CID 24967278

IUPAC1-(5-hydroxy-2-adamantyl)-3-methyl-4-propan-2-ylimidazolidin-2-one
SMILESCC(C)C1CN(C2C3CC4CC2CC(O)(C4)C3)C(=O)N1C
InChIInChI=1S/C17H28N2O2/c1-10(2)14-9-19(16(20)18(14)3)15-12-4-11-5-13(15)8-17(21,6-11)7-12/h10-15,21H,4-9H2,1-3H3
InChIKeyJQWXNVRXPRHSAK-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.32
Rot. Bonds2

About 1-(5-hydroxy-2-adamantyl)-3-methyl-4-propan-2-ylimidazolidin-2-one

1-(5-hydroxy-2-adamantyl)-3-methyl-4-propan-2-ylimidazolidin-2-one (PubChem CID 24967278) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-(5-hydroxy-2-adamantyl)-3-methyl-4-propan-2-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-(5-hydroxy-2-adamantyl)-3-methyl-4-propan-2-ylimidazolidin-2-one
PubChem CID24967278
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-(5-hydroxy-2-adamantyl)-3-methyl-4-propan-2-ylimidazolidin-2-one
SMILESCC(C)C1CN(C2C3CC4CC2CC(O)(C4)C3)C(=O)N1C
InChIInChI=1S/C17H28N2O2/c1-10(2)14-9-19(16(20)18(14)3)15-12-4-11-5-13(15)8-17(21,6-11)7-12/h10-15,21H,4-9H2,1-3H3
InChIKeyJQWXNVRXPRHSAK-UHFFFAOYSA-N
XLogP2.32
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxy-2-adamantyl)-3-methyl-4-propan-2-ylimidazolidin-2-one?
The IUPAC name of 1-(5-hydroxy-2-adamantyl)-3-methyl-4-propan-2-ylimidazolidin-2-one (CID 24967278) is 1-(5-hydroxy-2-adamantyl)-3-methyl-4-propan-2-ylimidazolidin-2-one.
What is the SMILES notation for 1-(5-hydroxy-2-adamantyl)-3-methyl-4-propan-2-ylimidazolidin-2-one?
The canonical SMILES for 1-(5-hydroxy-2-adamantyl)-3-methyl-4-propan-2-ylimidazolidin-2-one is CC(C)C1CN(C2C3CC4CC2CC(O)(C4)C3)C(=O)N1C.
What is the InChIKey of 1-(5-hydroxy-2-adamantyl)-3-methyl-4-propan-2-ylimidazolidin-2-one?
The InChIKey is JQWXNVRXPRHSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-10(2)14-9-19(16(20)18(14)3)15-12-4-11-5-13(15)8-17(21,6-11)7-12/h10-15,21H,4-9H2,1-3H3.
What are the key properties of 1-(5-hydroxy-2-adamantyl)-3-methyl-4-propan-2-ylimidazolidin-2-one?
1-(5-hydroxy-2-adamantyl)-3-methyl-4-propan-2-ylimidazolidin-2-one has a molecular weight of 292.42 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxy-2-adamantyl)-3-methyl-4-propan-2-ylimidazolidin-2-one is sourced from PubChem (CID 24967278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).