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

C17H28N2O2 — CID 68903702

IUPAC5-(5-hydroxy-2-adamantyl)-1-methyl-5-propan-2-ylimidazolidin-2-one
SMILESCC(C)C1(C2C3CC4CC2CC(O)(C4)C3)CNC(=O)N1C
InChIInChI=1S/C17H28N2O2/c1-10(2)17(9-18-15(20)19(17)3)14-12-4-11-5-13(14)8-16(21,6-11)7-12/h10-14,21H,4-9H2,1-3H3,(H,18,20)
InChIKeyZJMRZUMBWFDRKD-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.22
Rot. Bonds2

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

5-(5-hydroxy-2-adamantyl)-1-methyl-5-propan-2-ylimidazolidin-2-one (PubChem CID 68903702) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 5-(5-hydroxy-2-adamantyl)-1-methyl-5-propan-2-ylimidazolidin-2-one.

Molecular Properties

Compound Name5-(5-hydroxy-2-adamantyl)-1-methyl-5-propan-2-ylimidazolidin-2-one
PubChem CID68903702
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name5-(5-hydroxy-2-adamantyl)-1-methyl-5-propan-2-ylimidazolidin-2-one
SMILESCC(C)C1(C2C3CC4CC2CC(O)(C4)C3)CNC(=O)N1C
InChIInChI=1S/C17H28N2O2/c1-10(2)17(9-18-15(20)19(17)3)14-12-4-11-5-13(14)8-16(21,6-11)7-12/h10-14,21H,4-9H2,1-3H3,(H,18,20)
InChIKeyZJMRZUMBWFDRKD-UHFFFAOYSA-N
XLogP2.22
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-hydroxy-2-adamantyl)-3-methyl-4-propan-2-ylimidazolidin-2-one
CID 24967278
1-(5-hydroxy-2-adamantyl)-3,4,4-trimethylimidazolidin-2-one
CID 57495541
5-(4-fluorophenyl)-1-(5-hydroxy-2-adamantyl)-5-methylimidazolidin-2-one
CID 68907484
1-ethyl-4-(5-hydroxy-2-adamantyl)-5,5-dimethylimidazolidin-2-one
CID 68907576
1,5-dicyclopropyl-4-(5-hydroxy-2-adamantyl)-5-methylimidazolidin-2-one
CID 68905904
4-(3-methyl-4-propan-2-ylimidazolidin-1-yl)adamantan-1-ol
CID 141205367
1'-(5-hydroxy-2-adamantyl)-3'-methylspiro[1,3-dihydroindene-2,4'-imidazolidine]-2'-one
CID 57495538
4-aminoadamantan-1-ol;5-hydroxyadamantan-2-one
CID 69160144
2-[(1S,3S)-5-hydroxy-2-adamantyl]-4,4-dimethyl-3-oxodiazetidine-1-carboxylic acid
CID 123257712
2-(4-benzylpiperidin-1-yl)-N-(5-hydroxy-2-adamantyl)propanamide
CID 11603631
acetaldehyde;adamantan-1-ol
CID 175101814
adamantan-1-ol;azane
CID 66728775

Frequently Asked Questions

What is the IUPAC name of 5-(5-hydroxy-2-adamantyl)-1-methyl-5-propan-2-ylimidazolidin-2-one?
The IUPAC name of 5-(5-hydroxy-2-adamantyl)-1-methyl-5-propan-2-ylimidazolidin-2-one (CID 68903702) is 5-(5-hydroxy-2-adamantyl)-1-methyl-5-propan-2-ylimidazolidin-2-one.
What is the SMILES notation for 5-(5-hydroxy-2-adamantyl)-1-methyl-5-propan-2-ylimidazolidin-2-one?
The canonical SMILES for 5-(5-hydroxy-2-adamantyl)-1-methyl-5-propan-2-ylimidazolidin-2-one is CC(C)C1(C2C3CC4CC2CC(O)(C4)C3)CNC(=O)N1C.
What is the InChIKey of 5-(5-hydroxy-2-adamantyl)-1-methyl-5-propan-2-ylimidazolidin-2-one?
The InChIKey is ZJMRZUMBWFDRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-10(2)17(9-18-15(20)19(17)3)14-12-4-11-5-13(14)8-16(21,6-11)7-12/h10-14,21H,4-9H2,1-3H3,(H,18,20).
What are the key properties of 5-(5-hydroxy-2-adamantyl)-1-methyl-5-propan-2-ylimidazolidin-2-one?
5-(5-hydroxy-2-adamantyl)-1-methyl-5-propan-2-ylimidazolidin-2-one has a molecular weight of 292.42 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-hydroxy-2-adamantyl)-1-methyl-5-propan-2-ylimidazolidin-2-one is sourced from PubChem (CID 68903702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).