1-(2-adamantyl)-4-propan-2-ylimidazolidin-2-one

C16H26N2O — CID 24966556

IUPAC1-(2-adamantyl)-4-propan-2-ylimidazolidin-2-one
SMILESCC(C)C1CN(C2C3CC4CC(C3)CC2C4)C(=O)N1
InChIInChI=1S/C16H26N2O/c1-9(2)14-8-18(16(19)17-14)15-12-4-10-3-11(6-12)7-13(15)5-10/h9-15H,3-8H2,1-2H3,(H,17,19)
InChIKeyGDOBAHJVBZQCFD-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.86
Rot. Bonds2

About 1-(2-adamantyl)-4-propan-2-ylimidazolidin-2-one

1-(2-adamantyl)-4-propan-2-ylimidazolidin-2-one (PubChem CID 24966556) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-(2-adamantyl)-4-propan-2-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-(2-adamantyl)-4-propan-2-ylimidazolidin-2-one
PubChem CID24966556
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-(2-adamantyl)-4-propan-2-ylimidazolidin-2-one
SMILESCC(C)C1CN(C2C3CC4CC(C3)CC2C4)C(=O)N1
InChIInChI=1S/C16H26N2O/c1-9(2)14-8-18(16(19)17-14)15-12-4-10-3-11(6-12)7-13(15)5-10/h9-15H,3-8H2,1-2H3,(H,17,19)
InChIKeyGDOBAHJVBZQCFD-UHFFFAOYSA-N
XLogP2.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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4-(1-Adamantyl)imidazolin-2-one
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Frequently Asked Questions

What is the IUPAC name of 1-(2-adamantyl)-4-propan-2-ylimidazolidin-2-one?
The IUPAC name of 1-(2-adamantyl)-4-propan-2-ylimidazolidin-2-one (CID 24966556) is 1-(2-adamantyl)-4-propan-2-ylimidazolidin-2-one.
What is the SMILES notation for 1-(2-adamantyl)-4-propan-2-ylimidazolidin-2-one?
The canonical SMILES for 1-(2-adamantyl)-4-propan-2-ylimidazolidin-2-one is CC(C)C1CN(C2C3CC4CC(C3)CC2C4)C(=O)N1.
What is the InChIKey of 1-(2-adamantyl)-4-propan-2-ylimidazolidin-2-one?
The InChIKey is GDOBAHJVBZQCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-9(2)14-8-18(16(19)17-14)15-12-4-10-3-11(6-12)7-13(15)5-10/h9-15H,3-8H2,1-2H3,(H,17,19).
What are the key properties of 1-(2-adamantyl)-4-propan-2-ylimidazolidin-2-one?
1-(2-adamantyl)-4-propan-2-ylimidazolidin-2-one has a molecular weight of 262.40 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-adamantyl)-4-propan-2-ylimidazolidin-2-one is sourced from PubChem (CID 24966556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).