1-[(4-methoxyoxan-4-yl)methyl]-5-methylimidazole

C11H18N2O2 — CID 116798978

IUPAC1-[(4-methoxyoxan-4-yl)methyl]-5-methylimidazole
SMILESCOC1(Cn2cncc2C)CCOCC1
InChIInChI=1S/C11H18N2O2/c1-10-7-12-9-13(10)8-11(14-2)3-5-15-6-4-11/h7,9H,3-6,8H2,1-2H3
InChIKeyDHENSLAQEKZCMD-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.39
Rot. Bonds3

About 1-[(4-methoxyoxan-4-yl)methyl]-5-methylimidazole

1-[(4-methoxyoxan-4-yl)methyl]-5-methylimidazole (PubChem CID 116798978) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-[(4-methoxyoxan-4-yl)methyl]-5-methylimidazole.

Molecular Properties

Compound Name1-[(4-methoxyoxan-4-yl)methyl]-5-methylimidazole
PubChem CID116798978
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name1-[(4-methoxyoxan-4-yl)methyl]-5-methylimidazole
SMILESCOC1(Cn2cncc2C)CCOCC1
InChIInChI=1S/C11H18N2O2/c1-10-7-12-9-13(10)8-11(14-2)3-5-15-6-4-11/h7,9H,3-6,8H2,1-2H3
InChIKeyDHENSLAQEKZCMD-UHFFFAOYSA-N
XLogP1.39
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 ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyoxan-4-yl)methyl]-5-methylimidazole?
The IUPAC name of 1-[(4-methoxyoxan-4-yl)methyl]-5-methylimidazole (CID 116798978) is 1-[(4-methoxyoxan-4-yl)methyl]-5-methylimidazole.
What is the SMILES notation for 1-[(4-methoxyoxan-4-yl)methyl]-5-methylimidazole?
The canonical SMILES for 1-[(4-methoxyoxan-4-yl)methyl]-5-methylimidazole is COC1(Cn2cncc2C)CCOCC1.
What is the InChIKey of 1-[(4-methoxyoxan-4-yl)methyl]-5-methylimidazole?
The InChIKey is DHENSLAQEKZCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-10-7-12-9-13(10)8-11(14-2)3-5-15-6-4-11/h7,9H,3-6,8H2,1-2H3.
What are the key properties of 1-[(4-methoxyoxan-4-yl)methyl]-5-methylimidazole?
1-[(4-methoxyoxan-4-yl)methyl]-5-methylimidazole has a molecular weight of 210.28 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyoxan-4-yl)methyl]-5-methylimidazole is sourced from PubChem (CID 116798978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).