2-methyl-4-[(1-methylimidazol-2-yl)methyl]oxan-4-ol

C11H18N2O2 — CID 79743877

IUPAC2-methyl-4-[(1-methylimidazol-2-yl)methyl]oxan-4-ol
SMILESCC1CC(O)(Cc2nccn2C)CCO1
InChIInChI=1S/C11H18N2O2/c1-9-7-11(14,3-6-15-9)8-10-12-4-5-13(10)2/h4-5,9,14H,3,6-8H2,1-2H3
InChIKeyQNHJPGBJTQUCQH-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.89
Rot. Bonds2

About 2-methyl-4-[(1-methylimidazol-2-yl)methyl]oxan-4-ol

2-methyl-4-[(1-methylimidazol-2-yl)methyl]oxan-4-ol (PubChem CID 79743877) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-methyl-4-[(1-methylimidazol-2-yl)methyl]oxan-4-ol.

Molecular Properties

Compound Name2-methyl-4-[(1-methylimidazol-2-yl)methyl]oxan-4-ol
PubChem CID79743877
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2-methyl-4-[(1-methylimidazol-2-yl)methyl]oxan-4-ol
SMILESCC1CC(O)(Cc2nccn2C)CCO1
InChIInChI=1S/C11H18N2O2/c1-9-7-11(14,3-6-15-9)8-10-12-4-5-13(10)2/h4-5,9,14H,3,6-8H2,1-2H3
InChIKeyQNHJPGBJTQUCQH-UHFFFAOYSA-N
XLogP0.89
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1-methylimidazol-2-yl)methyl]-2-propan-2-yloxan-4-ol
CID 79744326
3-methyl-1-[(1-methylimidazol-2-yl)methyl]cyclopentan-1-ol
CID 79744063
3-amino-1-[(1-methylimidazol-2-yl)methyl]cyclopentan-1-ol
CID 80562581
2-methyl-4-[(1-methylbenzimidazol-2-yl)methyl]oxan-4-ol
CID 79754404
2-methyl-1-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-ol
CID 130555001
4-[(5-bromo-2-pyridinyl)methyl]-2-methyloxan-4-ol
CID 104802016
2-ethyl-4-[(1-ethylimidazol-2-yl)methyl]oxan-4-ol
CID 79744060
4-[2-(1-methylimidazol-2-yl)ethyl]oxan-4-ol
CID 114529027
3-[(1-methylimidazol-2-yl)methyl]thiolan-3-ol
CID 79949548
1-cyclopropyl-3-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-ol
CID 79743850
1-ethyl-4-[(1-methylimidazol-2-yl)methyl]azepan-4-ol
CID 79743883
2,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-ol
CID 79743681

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(1-methylimidazol-2-yl)methyl]oxan-4-ol?
The IUPAC name of 2-methyl-4-[(1-methylimidazol-2-yl)methyl]oxan-4-ol (CID 79743877) is 2-methyl-4-[(1-methylimidazol-2-yl)methyl]oxan-4-ol.
What is the SMILES notation for 2-methyl-4-[(1-methylimidazol-2-yl)methyl]oxan-4-ol?
The canonical SMILES for 2-methyl-4-[(1-methylimidazol-2-yl)methyl]oxan-4-ol is CC1CC(O)(Cc2nccn2C)CCO1.
What is the InChIKey of 2-methyl-4-[(1-methylimidazol-2-yl)methyl]oxan-4-ol?
The InChIKey is QNHJPGBJTQUCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-9-7-11(14,3-6-15-9)8-10-12-4-5-13(10)2/h4-5,9,14H,3,6-8H2,1-2H3.
What are the key properties of 2-methyl-4-[(1-methylimidazol-2-yl)methyl]oxan-4-ol?
2-methyl-4-[(1-methylimidazol-2-yl)methyl]oxan-4-ol has a molecular weight of 210.28 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(1-methylimidazol-2-yl)methyl]oxan-4-ol is sourced from PubChem (CID 79743877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).