1-(2-cyclohexyl-2-hydroxyethyl)-3-propan-2-ylimidazol-2-one

C14H24N2O2 — CID 104753347

IUPAC1-(2-cyclohexyl-2-hydroxyethyl)-3-propan-2-ylimidazol-2-one
SMILESCC(C)n1ccn(CC(O)C2CCCCC2)c1=O
InChIInChI=1S/C14H24N2O2/c1-11(2)16-9-8-15(14(16)18)10-13(17)12-6-4-3-5-7-12/h8-9,11-13,17H,3-7,10H2,1-2H3
InChIKeyXAUVVXFPYWMUHA-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.17
Rot. Bonds4

About 1-(2-cyclohexyl-2-hydroxyethyl)-3-propan-2-ylimidazol-2-one

1-(2-cyclohexyl-2-hydroxyethyl)-3-propan-2-ylimidazol-2-one (PubChem CID 104753347) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-(2-cyclohexyl-2-hydroxyethyl)-3-propan-2-ylimidazol-2-one.

Molecular Properties

Compound Name1-(2-cyclohexyl-2-hydroxyethyl)-3-propan-2-ylimidazol-2-one
PubChem CID104753347
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-(2-cyclohexyl-2-hydroxyethyl)-3-propan-2-ylimidazol-2-one
SMILESCC(C)n1ccn(CC(O)C2CCCCC2)c1=O
InChIInChI=1S/C14H24N2O2/c1-11(2)16-9-8-15(14(16)18)10-13(17)12-6-4-3-5-7-12/h8-9,11-13,17H,3-7,10H2,1-2H3
InChIKeyXAUVVXFPYWMUHA-UHFFFAOYSA-N
XLogP2.17
TPSA47.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentyl-2-(2-methylimidazol-1-yl)ethanol
CID 104753089
1-(2-cyclopentyl-2-hydroxyethyl)-4-methylpyridin-2-one
CID 104753235
2-methyl-3-(2-oxo-3-propan-2-ylimidazol-1-yl)propanamide
CID 116624943
1-[2-(oxolan-2-yl)ethyl]-3-propan-2-ylimidazol-2-one
CID 116625132
1-(2-cyclopentyl-2-hydroxyethyl)azepan-2-one
CID 104753129
1-cyclohexyl-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanol
CID 104968497
1-(2-cyclopentyl-2-hydroxyethyl)-4-methylpiperazine-2,3-dione
CID 113449235
2-(benzimidazol-1-yl)-1-cyclohexylethanol
CID 113449220
1-cyclohexyl-2-[4-(2-methylpropyl)piperazin-1-yl]ethanol
CID 104752803
1-[2-(methylaminomethyl)prop-2-enyl]-3-propan-2-ylimidazol-2-one
CID 103072797
1-[2-cyclohexyl-2-(propylamino)ethyl]-3-ethylimidazol-2-one
CID 104748010
1-propan-2-yl-3-[2-(propylamino)butyl]imidazol-2-one
CID 80581681

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexyl-2-hydroxyethyl)-3-propan-2-ylimidazol-2-one?
The IUPAC name of 1-(2-cyclohexyl-2-hydroxyethyl)-3-propan-2-ylimidazol-2-one (CID 104753347) is 1-(2-cyclohexyl-2-hydroxyethyl)-3-propan-2-ylimidazol-2-one.
What is the SMILES notation for 1-(2-cyclohexyl-2-hydroxyethyl)-3-propan-2-ylimidazol-2-one?
The canonical SMILES for 1-(2-cyclohexyl-2-hydroxyethyl)-3-propan-2-ylimidazol-2-one is CC(C)n1ccn(CC(O)C2CCCCC2)c1=O.
What is the InChIKey of 1-(2-cyclohexyl-2-hydroxyethyl)-3-propan-2-ylimidazol-2-one?
The InChIKey is XAUVVXFPYWMUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-11(2)16-9-8-15(14(16)18)10-13(17)12-6-4-3-5-7-12/h8-9,11-13,17H,3-7,10H2,1-2H3.
What are the key properties of 1-(2-cyclohexyl-2-hydroxyethyl)-3-propan-2-ylimidazol-2-one?
1-(2-cyclohexyl-2-hydroxyethyl)-3-propan-2-ylimidazol-2-one has a molecular weight of 252.36 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexyl-2-hydroxyethyl)-3-propan-2-ylimidazol-2-one is sourced from PubChem (CID 104753347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).