3-(1-cyclohexylethyl)-1H-imidazol-2-one

C11H18N2O — CID 103125595

IUPAC3-(1-cyclohexylethyl)-1H-imidazol-2-one
SMILESCC(C1CCCCC1)n1cc[nH]c1=O
InChIInChI=1S/C11H18N2O/c1-9(10-5-3-2-4-6-10)13-8-7-12-11(13)14/h7-10H,2-6H2,1H3,(H,12,14)
InChIKeyFJNATVDKXULMBO-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.32
Rot. Bonds2

About 3-(1-cyclohexylethyl)-1H-imidazol-2-one

3-(1-cyclohexylethyl)-1H-imidazol-2-one (PubChem CID 103125595) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 3-(1-cyclohexylethyl)-1H-imidazol-2-one.

Molecular Properties

Compound Name3-(1-cyclohexylethyl)-1H-imidazol-2-one
PubChem CID103125595
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name3-(1-cyclohexylethyl)-1H-imidazol-2-one
SMILESCC(C1CCCCC1)n1cc[nH]c1=O
InChIInChI=1S/C11H18N2O/c1-9(10-5-3-2-4-6-10)13-8-7-12-11(13)14/h7-10H,2-6H2,1H3,(H,12,14)
InChIKeyFJNATVDKXULMBO-UHFFFAOYSA-N
XLogP2.32
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclohexylethyl)-1H-imidazol-2-one?
The IUPAC name of 3-(1-cyclohexylethyl)-1H-imidazol-2-one (CID 103125595) is 3-(1-cyclohexylethyl)-1H-imidazol-2-one.
What is the SMILES notation for 3-(1-cyclohexylethyl)-1H-imidazol-2-one?
The canonical SMILES for 3-(1-cyclohexylethyl)-1H-imidazol-2-one is CC(C1CCCCC1)n1cc[nH]c1=O.
What is the InChIKey of 3-(1-cyclohexylethyl)-1H-imidazol-2-one?
The InChIKey is FJNATVDKXULMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-9(10-5-3-2-4-6-10)13-8-7-12-11(13)14/h7-10H,2-6H2,1H3,(H,12,14).
What are the key properties of 3-(1-cyclohexylethyl)-1H-imidazol-2-one?
3-(1-cyclohexylethyl)-1H-imidazol-2-one has a molecular weight of 194.28 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclohexylethyl)-1H-imidazol-2-one is sourced from PubChem (CID 103125595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).