1-(oxan-2-yl)-2-(1-propylimidazol-2-yl)ethanol

C13H22N2O2 — CID 115821107

IUPAC1-(oxan-2-yl)-2-(1-propylimidazol-2-yl)ethanol
SMILESCCCn1ccnc1CC(O)C1CCCCO1
InChIInChI=1S/C13H22N2O2/c1-2-7-15-8-6-14-13(15)10-11(16)12-5-3-4-9-17-12/h6,8,11-12,16H,2-5,7,9-10H2,1H3
InChIKeyNPMAIKKFEKEMKO-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.77
Rot. Bonds5

About 1-(oxan-2-yl)-2-(1-propylimidazol-2-yl)ethanol

1-(oxan-2-yl)-2-(1-propylimidazol-2-yl)ethanol (PubChem CID 115821107) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(oxan-2-yl)-2-(1-propylimidazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(oxan-2-yl)-2-(1-propylimidazol-2-yl)ethanol
PubChem CID115821107
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-(oxan-2-yl)-2-(1-propylimidazol-2-yl)ethanol
SMILESCCCn1ccnc1CC(O)C1CCCCO1
InChIInChI=1S/C13H22N2O2/c1-2-7-15-8-6-14-13(15)10-11(16)12-5-3-4-9-17-12/h6,8,11-12,16H,2-5,7,9-10H2,1H3
InChIKeyNPMAIKKFEKEMKO-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(oxolan-2-yl)-2-(1-propylimidazol-2-yl)ethanamine
CID 79761761
1-(3-methyloxolan-2-yl)-2-(1-propylimidazol-2-yl)ethanol
CID 115821151
3-(1-methylimidazol-2-yl)-1-(oxan-2-yl)propan-1-ol
CID 115838015
1-(4,4-dimethylcyclohexyl)-2-(1-propylimidazol-2-yl)ethanol
CID 79752511
2-(1-propylimidazol-2-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol
CID 115821078
1-(1,4-dioxan-2-yl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 115824351
N-[oxan-2-yl-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 115859031
oxolan-2-yl-(1-propylimidazol-2-yl)methanamine
CID 65331088
N-methyl-1-(1,4-oxathian-2-yl)-2-(1-propylimidazol-2-yl)ethanamine
CID 79963843
1-cyclobutyl-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 79760970
N-methyl-1-(oxolan-2-yl)-1-(1-propylimidazol-2-yl)methanamine
CID 65328911
1-cyclohexyl-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine
CID 79751471

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-2-yl)-2-(1-propylimidazol-2-yl)ethanol?
The IUPAC name of 1-(oxan-2-yl)-2-(1-propylimidazol-2-yl)ethanol (CID 115821107) is 1-(oxan-2-yl)-2-(1-propylimidazol-2-yl)ethanol.
What is the SMILES notation for 1-(oxan-2-yl)-2-(1-propylimidazol-2-yl)ethanol?
The canonical SMILES for 1-(oxan-2-yl)-2-(1-propylimidazol-2-yl)ethanol is CCCn1ccnc1CC(O)C1CCCCO1.
What is the InChIKey of 1-(oxan-2-yl)-2-(1-propylimidazol-2-yl)ethanol?
The InChIKey is NPMAIKKFEKEMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-2-7-15-8-6-14-13(15)10-11(16)12-5-3-4-9-17-12/h6,8,11-12,16H,2-5,7,9-10H2,1H3.
What are the key properties of 1-(oxan-2-yl)-2-(1-propylimidazol-2-yl)ethanol?
1-(oxan-2-yl)-2-(1-propylimidazol-2-yl)ethanol has a molecular weight of 238.33 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-2-yl)-2-(1-propylimidazol-2-yl)ethanol is sourced from PubChem (CID 115821107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).