3-(4,4-dimethylcyclohexyl)-1H-imidazol-2-one

C11H18N2O — CID 103125740

IUPAC3-(4,4-dimethylcyclohexyl)-1H-imidazol-2-one
SMILESCC1(C)CCC(n2cc[nH]c2=O)CC1
InChIInChI=1S/C11H18N2O/c1-11(2)5-3-9(4-6-11)13-8-7-12-10(13)14/h7-9H,3-6H2,1-2H3,(H,12,14)
InChIKeyFXYHQLXUGIGTBI-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.32
Rot. Bonds1

About 3-(4,4-dimethylcyclohexyl)-1H-imidazol-2-one

3-(4,4-dimethylcyclohexyl)-1H-imidazol-2-one (PubChem CID 103125740) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 3-(4,4-dimethylcyclohexyl)-1H-imidazol-2-one.

Molecular Properties

Compound Name3-(4,4-dimethylcyclohexyl)-1H-imidazol-2-one
PubChem CID103125740
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name3-(4,4-dimethylcyclohexyl)-1H-imidazol-2-one
SMILESCC1(C)CCC(n2cc[nH]c2=O)CC1
InChIInChI=1S/C11H18N2O/c1-11(2)5-3-9(4-6-11)13-8-7-12-10(13)14/h7-9H,3-6H2,1-2H3,(H,12,14)
InChIKeyFXYHQLXUGIGTBI-UHFFFAOYSA-N
XLogP2.32
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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-(4,4-dimethylcyclohexyl)-1H-imidazol-2-one?
The IUPAC name of 3-(4,4-dimethylcyclohexyl)-1H-imidazol-2-one (CID 103125740) is 3-(4,4-dimethylcyclohexyl)-1H-imidazol-2-one.
What is the SMILES notation for 3-(4,4-dimethylcyclohexyl)-1H-imidazol-2-one?
The canonical SMILES for 3-(4,4-dimethylcyclohexyl)-1H-imidazol-2-one is CC1(C)CCC(n2cc[nH]c2=O)CC1.
What is the InChIKey of 3-(4,4-dimethylcyclohexyl)-1H-imidazol-2-one?
The InChIKey is FXYHQLXUGIGTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-11(2)5-3-9(4-6-11)13-8-7-12-10(13)14/h7-9H,3-6H2,1-2H3,(H,12,14).
What are the key properties of 3-(4,4-dimethylcyclohexyl)-1H-imidazol-2-one?
3-(4,4-dimethylcyclohexyl)-1H-imidazol-2-one has a molecular weight of 194.28 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-dimethylcyclohexyl)-1H-imidazol-2-one is sourced from PubChem (CID 103125740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).