3-cyclohexyl-4-hydroxy-1H-imidazol-2-one

C9H14N2O2 — CID 54374640

IUPAC3-cyclohexyl-4-hydroxy-1H-imidazol-2-one
SMILESO=c1[nH]cc(O)n1C1CCCCC1
InChIInChI=1S/C9H14N2O2/c12-8-6-10-9(13)11(8)7-4-2-1-3-5-7/h6-7,12H,1-5H2,(H,10,13)
InChIKeyUVPZYECYBWQUFH-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.39
Rot. Bonds1

About 3-cyclohexyl-4-hydroxy-1H-imidazol-2-one

3-cyclohexyl-4-hydroxy-1H-imidazol-2-one (PubChem CID 54374640) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 3-cyclohexyl-4-hydroxy-1H-imidazol-2-one.

Molecular Properties

Compound Name3-cyclohexyl-4-hydroxy-1H-imidazol-2-one
PubChem CID54374640
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name3-cyclohexyl-4-hydroxy-1H-imidazol-2-one
SMILESO=c1[nH]cc(O)n1C1CCCCC1
InChIInChI=1S/C9H14N2O2/c12-8-6-10-9(13)11(8)7-4-2-1-3-5-7/h6-7,12H,1-5H2,(H,10,13)
InChIKeyUVPZYECYBWQUFH-UHFFFAOYSA-N
XLogP1.39
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-4-hydroxy-1H-imidazol-2-one?
The IUPAC name of 3-cyclohexyl-4-hydroxy-1H-imidazol-2-one (CID 54374640) is 3-cyclohexyl-4-hydroxy-1H-imidazol-2-one.
What is the SMILES notation for 3-cyclohexyl-4-hydroxy-1H-imidazol-2-one?
The canonical SMILES for 3-cyclohexyl-4-hydroxy-1H-imidazol-2-one is O=c1[nH]cc(O)n1C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-4-hydroxy-1H-imidazol-2-one?
The InChIKey is UVPZYECYBWQUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c12-8-6-10-9(13)11(8)7-4-2-1-3-5-7/h6-7,12H,1-5H2,(H,10,13).
What are the key properties of 3-cyclohexyl-4-hydroxy-1H-imidazol-2-one?
3-cyclohexyl-4-hydroxy-1H-imidazol-2-one has a molecular weight of 182.22 g/mol, XLogP of 1.39, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-4-hydroxy-1H-imidazol-2-one is sourced from PubChem (CID 54374640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).