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

C11H18N2O2 — CID 114529027

IUPAC4-[2-(1-methylimidazol-2-yl)ethyl]oxan-4-ol
SMILESCn1ccnc1CCC1(O)CCOCC1
InChIInChI=1S/C11H18N2O2/c1-13-7-6-12-10(13)2-3-11(14)4-8-15-9-5-11/h6-7,14H,2-5,8-9H2,1H3
InChIKeyGTXJWBJRIVGVIK-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.89
Rot. Bonds3

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

4-[2-(1-methylimidazol-2-yl)ethyl]oxan-4-ol (PubChem CID 114529027) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-[2-(1-methylimidazol-2-yl)ethyl]oxan-4-ol.

Molecular Properties

Compound Name4-[2-(1-methylimidazol-2-yl)ethyl]oxan-4-ol
PubChem CID114529027
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name4-[2-(1-methylimidazol-2-yl)ethyl]oxan-4-ol
SMILESCn1ccnc1CCC1(O)CCOCC1
InChIInChI=1S/C11H18N2O2/c1-13-7-6-12-10(13)2-3-11(14)4-8-15-9-5-11/h6-7,14H,2-5,8-9H2,1H3
InChIKeyGTXJWBJRIVGVIK-UHFFFAOYSA-N
XLogP0.89
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]oxan-4-ol
CID 113344645
3,3-dimethyl-1-[2-(1-methylimidazol-2-yl)ethyl]cyclopentan-1-ol
CID 114529236
4-amino-N-[2-(1-methylimidazol-2-yl)ethyl]oxane-4-carboxamide
CID 113280694
3-hydroxy-3-[2-(1-methylimidazol-2-yl)ethyl]cyclobutane-1-carboxylic acid
CID 114529248
3-amino-1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-ol
CID 114529231
4-[2-(1-methylimidazol-2-yl)ethylcarbamoylamino]oxane-4-carboxylic acid
CID 115293095
2-methyl-4-[(1-methylimidazol-2-yl)methyl]oxan-4-ol
CID 79743877
1-(4-methoxyoxan-4-yl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114530792
2-[2-[1-(bromomethyl)cyclopentyl]ethyl]-1-methylimidazole
CID 114532734
2-[2-[1-(1-chloroethyl)cyclopropyl]ethyl]-1-methylimidazole
CID 106798396
3-[(4-hydroxyoxan-4-yl)methylamino]-1-methylpyrazin-2-one
CID 79026561
1-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]cyclopentan-1-ol
CID 65210949

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-methylimidazol-2-yl)ethyl]oxan-4-ol?
The IUPAC name of 4-[2-(1-methylimidazol-2-yl)ethyl]oxan-4-ol (CID 114529027) is 4-[2-(1-methylimidazol-2-yl)ethyl]oxan-4-ol.
What is the SMILES notation for 4-[2-(1-methylimidazol-2-yl)ethyl]oxan-4-ol?
The canonical SMILES for 4-[2-(1-methylimidazol-2-yl)ethyl]oxan-4-ol is Cn1ccnc1CCC1(O)CCOCC1.
What is the InChIKey of 4-[2-(1-methylimidazol-2-yl)ethyl]oxan-4-ol?
The InChIKey is GTXJWBJRIVGVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-13-7-6-12-10(13)2-3-11(14)4-8-15-9-5-11/h6-7,14H,2-5,8-9H2,1H3.
What are the key properties of 4-[2-(1-methylimidazol-2-yl)ethyl]oxan-4-ol?
4-[2-(1-methylimidazol-2-yl)ethyl]oxan-4-ol has a molecular weight of 210.28 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-methylimidazol-2-yl)ethyl]oxan-4-ol is sourced from PubChem (CID 114529027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).