1-(5-hydroxy-2-adamantyl)-3,4,4-trimethylimidazolidin-2-one

C16H26N2O2 — CID 57495541

IUPAC1-(5-hydroxy-2-adamantyl)-3,4,4-trimethylimidazolidin-2-one
SMILESCN1C(=O)N(C2C3CC4CC2CC(O)(C4)C3)CC1(C)C
InChIInChI=1S/C16H26N2O2/c1-15(2)9-18(14(19)17(15)3)13-11-4-10-5-12(13)8-16(20,6-10)7-11/h10-13,20H,4-9H2,1-3H3
InChIKeyHYWORGDRRCEKRE-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.07
Rot. Bonds1

About 1-(5-hydroxy-2-adamantyl)-3,4,4-trimethylimidazolidin-2-one

1-(5-hydroxy-2-adamantyl)-3,4,4-trimethylimidazolidin-2-one (PubChem CID 57495541) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-(5-hydroxy-2-adamantyl)-3,4,4-trimethylimidazolidin-2-one.

Molecular Properties

Compound Name1-(5-hydroxy-2-adamantyl)-3,4,4-trimethylimidazolidin-2-one
PubChem CID57495541
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-(5-hydroxy-2-adamantyl)-3,4,4-trimethylimidazolidin-2-one
SMILESCN1C(=O)N(C2C3CC4CC2CC(O)(C4)C3)CC1(C)C
InChIInChI=1S/C16H26N2O2/c1-15(2)9-18(14(19)17(15)3)13-11-4-10-5-12(13)8-16(20,6-10)7-11/h10-13,20H,4-9H2,1-3H3
InChIKeyHYWORGDRRCEKRE-UHFFFAOYSA-N
XLogP2.07
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.07
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)-3,4,4-trimethylimidazolidin-2-one?
The IUPAC name of 1-(5-hydroxy-2-adamantyl)-3,4,4-trimethylimidazolidin-2-one (CID 57495541) is 1-(5-hydroxy-2-adamantyl)-3,4,4-trimethylimidazolidin-2-one.
What is the SMILES notation for 1-(5-hydroxy-2-adamantyl)-3,4,4-trimethylimidazolidin-2-one?
The canonical SMILES for 1-(5-hydroxy-2-adamantyl)-3,4,4-trimethylimidazolidin-2-one is CN1C(=O)N(C2C3CC4CC2CC(O)(C4)C3)CC1(C)C.
What is the InChIKey of 1-(5-hydroxy-2-adamantyl)-3,4,4-trimethylimidazolidin-2-one?
The InChIKey is HYWORGDRRCEKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-15(2)9-18(14(19)17(15)3)13-11-4-10-5-12(13)8-16(20,6-10)7-11/h10-13,20H,4-9H2,1-3H3.
What are the key properties of 1-(5-hydroxy-2-adamantyl)-3,4,4-trimethylimidazolidin-2-one?
1-(5-hydroxy-2-adamantyl)-3,4,4-trimethylimidazolidin-2-one has a molecular weight of 278.40 g/mol, XLogP of 2.07, 1 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)-3,4,4-trimethylimidazolidin-2-one is sourced from PubChem (CID 57495541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).