2-[[1-(2-cyclohexylethyl)imidazol-4-yl]methyl]-5-methylmorpholin-3-one

C17H27N3O2 — CID 22289850

IUPAC2-[[1-(2-cyclohexylethyl)imidazol-4-yl]methyl]-5-methylmorpholin-3-one
SMILESCC1COC(Cc2cn(CCC3CCCCC3)cn2)C(=O)N1
InChIInChI=1S/C17H27N3O2/c1-13-11-22-16(17(21)19-13)9-15-10-20(12-18-15)8-7-14-5-3-2-4-6-14/h10,12-14,16H,2-9,11H2,1H3,(H,19,21)
InChIKeyPHHNEKZFGGHEBH-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.30
Rot. Bonds5

About 2-[[1-(2-cyclohexylethyl)imidazol-4-yl]methyl]-5-methylmorpholin-3-one

2-[[1-(2-cyclohexylethyl)imidazol-4-yl]methyl]-5-methylmorpholin-3-one (PubChem CID 22289850) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-[[1-(2-cyclohexylethyl)imidazol-4-yl]methyl]-5-methylmorpholin-3-one.

Molecular Properties

Compound Name2-[[1-(2-cyclohexylethyl)imidazol-4-yl]methyl]-5-methylmorpholin-3-one
PubChem CID22289850
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name2-[[1-(2-cyclohexylethyl)imidazol-4-yl]methyl]-5-methylmorpholin-3-one
SMILESCC1COC(Cc2cn(CCC3CCCCC3)cn2)C(=O)N1
InChIInChI=1S/C17H27N3O2/c1-13-11-22-16(17(21)19-13)9-15-10-20(12-18-15)8-7-14-5-3-2-4-6-14/h10,12-14,16H,2-9,11H2,1H3,(H,19,21)
InChIKeyPHHNEKZFGGHEBH-UHFFFAOYSA-N
XLogP2.30
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-cyclohexylethyl)imidazol-4-yl]methyl]-5-methylmorpholin-3-one?
The IUPAC name of 2-[[1-(2-cyclohexylethyl)imidazol-4-yl]methyl]-5-methylmorpholin-3-one (CID 22289850) is 2-[[1-(2-cyclohexylethyl)imidazol-4-yl]methyl]-5-methylmorpholin-3-one.
What is the SMILES notation for 2-[[1-(2-cyclohexylethyl)imidazol-4-yl]methyl]-5-methylmorpholin-3-one?
The canonical SMILES for 2-[[1-(2-cyclohexylethyl)imidazol-4-yl]methyl]-5-methylmorpholin-3-one is CC1COC(Cc2cn(CCC3CCCCC3)cn2)C(=O)N1.
What is the InChIKey of 2-[[1-(2-cyclohexylethyl)imidazol-4-yl]methyl]-5-methylmorpholin-3-one?
The InChIKey is PHHNEKZFGGHEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-13-11-22-16(17(21)19-13)9-15-10-20(12-18-15)8-7-14-5-3-2-4-6-14/h10,12-14,16H,2-9,11H2,1H3,(H,19,21).
What are the key properties of 2-[[1-(2-cyclohexylethyl)imidazol-4-yl]methyl]-5-methylmorpholin-3-one?
2-[[1-(2-cyclohexylethyl)imidazol-4-yl]methyl]-5-methylmorpholin-3-one has a molecular weight of 305.42 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-cyclohexylethyl)imidazol-4-yl]methyl]-5-methylmorpholin-3-one is sourced from PubChem (CID 22289850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).