1-(3-ethylimidazol-4-yl)-3-(oxolan-2-yl)propan-1-ol

C12H20N2O2 — CID 66135358

IUPAC1-(3-ethylimidazol-4-yl)-3-(oxolan-2-yl)propan-1-ol
SMILESCCn1cncc1C(O)CCC1CCCO1
InChIInChI=1S/C12H20N2O2/c1-2-14-9-13-8-11(14)12(15)6-5-10-4-3-7-16-10/h8-10,12,15H,2-7H2,1H3
InChIKeyZJXCZALKDHMXHV-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.90
Rot. Bonds5

About 1-(3-ethylimidazol-4-yl)-3-(oxolan-2-yl)propan-1-ol

1-(3-ethylimidazol-4-yl)-3-(oxolan-2-yl)propan-1-ol (PubChem CID 66135358) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-(3-ethylimidazol-4-yl)-3-(oxolan-2-yl)propan-1-ol.

Molecular Properties

Compound Name1-(3-ethylimidazol-4-yl)-3-(oxolan-2-yl)propan-1-ol
PubChem CID66135358
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1-(3-ethylimidazol-4-yl)-3-(oxolan-2-yl)propan-1-ol
SMILESCCn1cncc1C(O)CCC1CCCO1
InChIInChI=1S/C12H20N2O2/c1-2-14-9-13-8-11(14)12(15)6-5-10-4-3-7-16-10/h8-10,12,15H,2-7H2,1H3
InChIKeyZJXCZALKDHMXHV-UHFFFAOYSA-N
XLogP1.90
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylimidazol-4-yl)-3-(oxolan-2-yl)propan-1-ol?
The IUPAC name of 1-(3-ethylimidazol-4-yl)-3-(oxolan-2-yl)propan-1-ol (CID 66135358) is 1-(3-ethylimidazol-4-yl)-3-(oxolan-2-yl)propan-1-ol.
What is the SMILES notation for 1-(3-ethylimidazol-4-yl)-3-(oxolan-2-yl)propan-1-ol?
The canonical SMILES for 1-(3-ethylimidazol-4-yl)-3-(oxolan-2-yl)propan-1-ol is CCn1cncc1C(O)CCC1CCCO1.
What is the InChIKey of 1-(3-ethylimidazol-4-yl)-3-(oxolan-2-yl)propan-1-ol?
The InChIKey is ZJXCZALKDHMXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-2-14-9-13-8-11(14)12(15)6-5-10-4-3-7-16-10/h8-10,12,15H,2-7H2,1H3.
What are the key properties of 1-(3-ethylimidazol-4-yl)-3-(oxolan-2-yl)propan-1-ol?
1-(3-ethylimidazol-4-yl)-3-(oxolan-2-yl)propan-1-ol has a molecular weight of 224.30 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylimidazol-4-yl)-3-(oxolan-2-yl)propan-1-ol is sourced from PubChem (CID 66135358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).