3-(1-methylimidazol-2-yl)-1-(oxan-2-yl)propan-1-ol

C12H20N2O2 — CID 115838015

IUPAC3-(1-methylimidazol-2-yl)-1-(oxan-2-yl)propan-1-ol
SMILESCn1ccnc1CCC(O)C1CCCCO1
InChIInChI=1S/C12H20N2O2/c1-14-8-7-13-12(14)6-5-10(15)11-4-2-3-9-16-11/h7-8,10-11,15H,2-6,9H2,1H3
InChIKeyJZBGPQOZIDSPAB-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.28
Rot. Bonds4

About 3-(1-methylimidazol-2-yl)-1-(oxan-2-yl)propan-1-ol

3-(1-methylimidazol-2-yl)-1-(oxan-2-yl)propan-1-ol (PubChem CID 115838015) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 3-(1-methylimidazol-2-yl)-1-(oxan-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-(1-methylimidazol-2-yl)-1-(oxan-2-yl)propan-1-ol
PubChem CID115838015
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name3-(1-methylimidazol-2-yl)-1-(oxan-2-yl)propan-1-ol
SMILESCn1ccnc1CCC(O)C1CCCCO1
InChIInChI=1S/C12H20N2O2/c1-14-8-7-13-12(14)6-5-10(15)11-4-2-3-9-16-11/h7-8,10-11,15H,2-6,9H2,1H3
InChIKeyJZBGPQOZIDSPAB-UHFFFAOYSA-N
XLogP1.28
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-methylimidazol-2-yl)-1-(4-methylmorpholin-2-yl)propan-1-ol
CID 114529802
1-(oxan-2-yl)-2-(1-propylimidazol-2-yl)ethanol
CID 115821107
1-(6-bicyclo[3.1.0]hexanyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 115837979
N-[2-(1-methylimidazol-2-yl)ethyl]-1-(oxolan-2-yl)ethanamine
CID 104531118
1-cyclopentyl-5-(1-methylimidazol-2-yl)pentan-3-ol
CID 115838050
1-(2,3-dihydro-1-benzofuran-2-yl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 114529846
1-cyclopentyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114530015
1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 106600974
1-cyclohex-3-en-1-yl-3-(1-methylimidazol-2-yl)propan-1-ol
CID 114529132
1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 114529815
1-(7-bicyclo[4.1.0]heptanyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 105050153
1-cyclobutyl-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114530243

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylimidazol-2-yl)-1-(oxan-2-yl)propan-1-ol?
The IUPAC name of 3-(1-methylimidazol-2-yl)-1-(oxan-2-yl)propan-1-ol (CID 115838015) is 3-(1-methylimidazol-2-yl)-1-(oxan-2-yl)propan-1-ol.
What is the SMILES notation for 3-(1-methylimidazol-2-yl)-1-(oxan-2-yl)propan-1-ol?
The canonical SMILES for 3-(1-methylimidazol-2-yl)-1-(oxan-2-yl)propan-1-ol is Cn1ccnc1CCC(O)C1CCCCO1.
What is the InChIKey of 3-(1-methylimidazol-2-yl)-1-(oxan-2-yl)propan-1-ol?
The InChIKey is JZBGPQOZIDSPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-14-8-7-13-12(14)6-5-10(15)11-4-2-3-9-16-11/h7-8,10-11,15H,2-6,9H2,1H3.
What are the key properties of 3-(1-methylimidazol-2-yl)-1-(oxan-2-yl)propan-1-ol?
3-(1-methylimidazol-2-yl)-1-(oxan-2-yl)propan-1-ol has a molecular weight of 224.30 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylimidazol-2-yl)-1-(oxan-2-yl)propan-1-ol is sourced from PubChem (CID 115838015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).