1-[[(2S)-1,4-dioxan-2-yl]methyl]-2-ethyl-4-methylimidazole

C11H18N2O2 — CID 164635699

IUPAC1-[[(2S)-1,4-dioxan-2-yl]methyl]-2-ethyl-4-methylimidazole
SMILESCCc1nc(C)cn1C[C@H]1COCCO1
InChIInChI=1S/C11H18N2O2/c1-3-11-12-9(2)6-13(11)7-10-8-14-4-5-15-10/h6,10H,3-5,7-8H2,1-2H3/t10-/m0/s1
InChIKeyOSGDTRHNSLBPOE-JTQLQIEISA-N
MW210.28 g/mol
LogP1.17
Rot. Bonds3

About 1-[[(2S)-1,4-dioxan-2-yl]methyl]-2-ethyl-4-methylimidazole

1-[[(2S)-1,4-dioxan-2-yl]methyl]-2-ethyl-4-methylimidazole (PubChem CID 164635699) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-[[(2S)-1,4-dioxan-2-yl]methyl]-2-ethyl-4-methylimidazole.

Molecular Properties

Compound Name1-[[(2S)-1,4-dioxan-2-yl]methyl]-2-ethyl-4-methylimidazole
PubChem CID164635699
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name1-[[(2S)-1,4-dioxan-2-yl]methyl]-2-ethyl-4-methylimidazole
SMILESCCc1nc(C)cn1C[C@H]1COCCO1
InChIInChI=1S/C11H18N2O2/c1-3-11-12-9(2)6-13(11)7-10-8-14-4-5-15-10/h6,10H,3-5,7-8H2,1-2H3/t10-/m0/s1
InChIKeyOSGDTRHNSLBPOE-JTQLQIEISA-N
XLogP1.17
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[(2S)-1,4-dioxan-2-yl]methyl]-2-ethyl-4-methylimidazole?
The IUPAC name of 1-[[(2S)-1,4-dioxan-2-yl]methyl]-2-ethyl-4-methylimidazole (CID 164635699) is 1-[[(2S)-1,4-dioxan-2-yl]methyl]-2-ethyl-4-methylimidazole.
What is the SMILES notation for 1-[[(2S)-1,4-dioxan-2-yl]methyl]-2-ethyl-4-methylimidazole?
The canonical SMILES for 1-[[(2S)-1,4-dioxan-2-yl]methyl]-2-ethyl-4-methylimidazole is CCc1nc(C)cn1C[C@H]1COCCO1.
What is the InChIKey of 1-[[(2S)-1,4-dioxan-2-yl]methyl]-2-ethyl-4-methylimidazole?
The InChIKey is OSGDTRHNSLBPOE-JTQLQIEISA-N. The full InChI is InChI=1S/C11H18N2O2/c1-3-11-12-9(2)6-13(11)7-10-8-14-4-5-15-10/h6,10H,3-5,7-8H2,1-2H3/t10-/m0/s1.
What are the key properties of 1-[[(2S)-1,4-dioxan-2-yl]methyl]-2-ethyl-4-methylimidazole?
1-[[(2S)-1,4-dioxan-2-yl]methyl]-2-ethyl-4-methylimidazole has a molecular weight of 210.28 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2S)-1,4-dioxan-2-yl]methyl]-2-ethyl-4-methylimidazole is sourced from PubChem (CID 164635699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).