1-(3-methyloxolan-2-yl)-2-(1-propylimidazol-2-yl)ethanol

C13H22N2O2 — CID 115821151

IUPAC1-(3-methyloxolan-2-yl)-2-(1-propylimidazol-2-yl)ethanol
SMILESCCCn1ccnc1CC(O)C1OCCC1C
InChIInChI=1S/C13H22N2O2/c1-3-6-15-7-5-14-12(15)9-11(16)13-10(2)4-8-17-13/h5,7,10-11,13,16H,3-4,6,8-9H2,1-2H3
InChIKeyVNYKPUABMKRUOT-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.62
Rot. Bonds5

About 1-(3-methyloxolan-2-yl)-2-(1-propylimidazol-2-yl)ethanol

1-(3-methyloxolan-2-yl)-2-(1-propylimidazol-2-yl)ethanol (PubChem CID 115821151) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(3-methyloxolan-2-yl)-2-(1-propylimidazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(3-methyloxolan-2-yl)-2-(1-propylimidazol-2-yl)ethanol
PubChem CID115821151
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-(3-methyloxolan-2-yl)-2-(1-propylimidazol-2-yl)ethanol
SMILESCCCn1ccnc1CC(O)C1OCCC1C
InChIInChI=1S/C13H22N2O2/c1-3-6-15-7-5-14-12(15)9-11(16)13-10(2)4-8-17-13/h5,7,10-11,13,16H,3-4,6,8-9H2,1-2H3
InChIKeyVNYKPUABMKRUOT-UHFFFAOYSA-N
XLogP1.62
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-(3-methyloxolan-2-yl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012409
(3-methyloxolan-2-yl)-(1-propylimidazol-2-yl)methanol
CID 115799314
1-(oxan-2-yl)-2-(1-propylimidazol-2-yl)ethanol
CID 115821107
1-(4,4-dimethylcyclohexyl)-2-(1-propylimidazol-2-yl)ethanol
CID 79752511
2-(1-ethylimidazol-2-yl)-1-(3-methyloxolan-2-yl)ethanamine
CID 105009551
2-(1-propylimidazol-2-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol
CID 115821078
1-(2-methylcyclopentyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 107189999
N-methyl-1-(oxolan-2-yl)-2-(1-propylimidazol-2-yl)ethanamine
CID 79761761
1-[1-hydroxy-2-(1-propylimidazol-2-yl)ethyl]-4-methylcyclohexan-1-ol
CID 103452429
(3-methyloxolan-2-yl)-(1-propylimidazol-2-yl)methanone
CID 114972690
1-cyclobutyl-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 79760970
2-[(1-propylimidazol-2-yl)methyl]cycloheptan-1-ol
CID 79760679

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyloxolan-2-yl)-2-(1-propylimidazol-2-yl)ethanol?
The IUPAC name of 1-(3-methyloxolan-2-yl)-2-(1-propylimidazol-2-yl)ethanol (CID 115821151) is 1-(3-methyloxolan-2-yl)-2-(1-propylimidazol-2-yl)ethanol.
What is the SMILES notation for 1-(3-methyloxolan-2-yl)-2-(1-propylimidazol-2-yl)ethanol?
The canonical SMILES for 1-(3-methyloxolan-2-yl)-2-(1-propylimidazol-2-yl)ethanol is CCCn1ccnc1CC(O)C1OCCC1C.
What is the InChIKey of 1-(3-methyloxolan-2-yl)-2-(1-propylimidazol-2-yl)ethanol?
The InChIKey is VNYKPUABMKRUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-3-6-15-7-5-14-12(15)9-11(16)13-10(2)4-8-17-13/h5,7,10-11,13,16H,3-4,6,8-9H2,1-2H3.
What are the key properties of 1-(3-methyloxolan-2-yl)-2-(1-propylimidazol-2-yl)ethanol?
1-(3-methyloxolan-2-yl)-2-(1-propylimidazol-2-yl)ethanol has a molecular weight of 238.33 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyloxolan-2-yl)-2-(1-propylimidazol-2-yl)ethanol is sourced from PubChem (CID 115821151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).