2-[cyclohexyl(methoxy)methyl]-4,4-dimethyl-1H-imidazol-5-one

C13H22N2O2 — CID 106953233

IUPAC2-[cyclohexyl(methoxy)methyl]-4,4-dimethyl-1H-imidazol-5-one
SMILESCOC(C1=NC(C)(C)C(=O)N1)C1CCCCC1
InChIInChI=1S/C13H22N2O2/c1-13(2)12(16)14-11(15-13)10(17-3)9-7-5-4-6-8-9/h9-10H,4-8H2,1-3H3,(H,14,15,16)
InChIKeyZUGLXSGKSLHJGE-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.89
Rot. Bonds3

About 2-[cyclohexyl(methoxy)methyl]-4,4-dimethyl-1H-imidazol-5-one

2-[cyclohexyl(methoxy)methyl]-4,4-dimethyl-1H-imidazol-5-one (PubChem CID 106953233) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[cyclohexyl(methoxy)methyl]-4,4-dimethyl-1H-imidazol-5-one.

Molecular Properties

Compound Name2-[cyclohexyl(methoxy)methyl]-4,4-dimethyl-1H-imidazol-5-one
PubChem CID106953233
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-[cyclohexyl(methoxy)methyl]-4,4-dimethyl-1H-imidazol-5-one
SMILESCOC(C1=NC(C)(C)C(=O)N1)C1CCCCC1
InChIInChI=1S/C13H22N2O2/c1-13(2)12(16)14-11(15-13)10(17-3)9-7-5-4-6-8-9/h9-10H,4-8H2,1-3H3,(H,14,15,16)
InChIKeyZUGLXSGKSLHJGE-UHFFFAOYSA-N
XLogP1.89
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclohexyl(methoxy)methyl]-6,7,8,9-tetrahydrocyclohepta[d]pyrimidin-5-one
CID 107384687
2-[cyclohexyl(methoxy)methyl]-1,3-thiazol-4-ol
CID 130501377
1-[2-[cyclohexyl(methoxy)methyl]-1,3-thiazol-4-yl]ethanone
CID 116774203
[3-[cyclohexyl(methoxy)methyl]-1H-1,2,4-triazol-5-yl]methanol
CID 116782477
2-[cyclohexyl(methoxy)methyl]-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 116774220
3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-amine
CID 116743450
5-(chloromethyl)-3-[cyclohexyl(methoxy)methyl]-1H-1,2,4-triazole
CID 116782495
2-[cyclohexyl(methoxy)methyl]-4-[(cyclopropylamino)methyl]-1H-pyrimidin-6-one
CID 137017967
1-methoxyethylcyclooctane
CID 58445596
[2-[cyclohexyl(methoxy)methyl]pyrimidin-5-yl]methanol
CID 116779001
4,6-dichloro-2-[cyclohexyl(methoxy)methyl]-5-ethylpyrimidine
CID 116745974
4-cyclopentyl-2-[cyclopropyl(methoxy)methyl]-5-iodo-1H-pyrimidin-6-one
CID 136997924

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(methoxy)methyl]-4,4-dimethyl-1H-imidazol-5-one?
The IUPAC name of 2-[cyclohexyl(methoxy)methyl]-4,4-dimethyl-1H-imidazol-5-one (CID 106953233) is 2-[cyclohexyl(methoxy)methyl]-4,4-dimethyl-1H-imidazol-5-one.
What is the SMILES notation for 2-[cyclohexyl(methoxy)methyl]-4,4-dimethyl-1H-imidazol-5-one?
The canonical SMILES for 2-[cyclohexyl(methoxy)methyl]-4,4-dimethyl-1H-imidazol-5-one is COC(C1=NC(C)(C)C(=O)N1)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(methoxy)methyl]-4,4-dimethyl-1H-imidazol-5-one?
The InChIKey is ZUGLXSGKSLHJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-13(2)12(16)14-11(15-13)10(17-3)9-7-5-4-6-8-9/h9-10H,4-8H2,1-3H3,(H,14,15,16).
What are the key properties of 2-[cyclohexyl(methoxy)methyl]-4,4-dimethyl-1H-imidazol-5-one?
2-[cyclohexyl(methoxy)methyl]-4,4-dimethyl-1H-imidazol-5-one has a molecular weight of 238.33 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(methoxy)methyl]-4,4-dimethyl-1H-imidazol-5-one is sourced from PubChem (CID 106953233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).