1-(5-ethylfuran-2-yl)-2-(1-methylimidazol-2-yl)ethanol

C12H16N2O2 — CID 79744968

IUPAC1-(5-ethylfuran-2-yl)-2-(1-methylimidazol-2-yl)ethanol
SMILESCCc1ccc(C(O)Cc2nccn2C)o1
InChIInChI=1S/C12H16N2O2/c1-3-9-4-5-11(16-9)10(15)8-12-13-6-7-14(12)2/h4-7,10,15H,3,8H2,1-2H3
InChIKeyCONNUNFRVYGUKO-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.85
Rot. Bonds4

About 1-(5-ethylfuran-2-yl)-2-(1-methylimidazol-2-yl)ethanol

1-(5-ethylfuran-2-yl)-2-(1-methylimidazol-2-yl)ethanol (PubChem CID 79744968) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-(5-ethylfuran-2-yl)-2-(1-methylimidazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(5-ethylfuran-2-yl)-2-(1-methylimidazol-2-yl)ethanol
PubChem CID79744968
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name1-(5-ethylfuran-2-yl)-2-(1-methylimidazol-2-yl)ethanol
SMILESCCc1ccc(C(O)Cc2nccn2C)o1
InChIInChI=1S/C12H16N2O2/c1-3-9-4-5-11(16-9)10(15)8-12-13-6-7-14(12)2/h4-7,10,15H,3,8H2,1-2H3
InChIKeyCONNUNFRVYGUKO-UHFFFAOYSA-N
XLogP1.85
TPSA51.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylfuran-2-yl)-2-(1-methylimidazol-2-yl)ethanol?
The IUPAC name of 1-(5-ethylfuran-2-yl)-2-(1-methylimidazol-2-yl)ethanol (CID 79744968) is 1-(5-ethylfuran-2-yl)-2-(1-methylimidazol-2-yl)ethanol.
What is the SMILES notation for 1-(5-ethylfuran-2-yl)-2-(1-methylimidazol-2-yl)ethanol?
The canonical SMILES for 1-(5-ethylfuran-2-yl)-2-(1-methylimidazol-2-yl)ethanol is CCc1ccc(C(O)Cc2nccn2C)o1.
What is the InChIKey of 1-(5-ethylfuran-2-yl)-2-(1-methylimidazol-2-yl)ethanol?
The InChIKey is CONNUNFRVYGUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-3-9-4-5-11(16-9)10(15)8-12-13-6-7-14(12)2/h4-7,10,15H,3,8H2,1-2H3.
What are the key properties of 1-(5-ethylfuran-2-yl)-2-(1-methylimidazol-2-yl)ethanol?
1-(5-ethylfuran-2-yl)-2-(1-methylimidazol-2-yl)ethanol has a molecular weight of 220.27 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylfuran-2-yl)-2-(1-methylimidazol-2-yl)ethanol is sourced from PubChem (CID 79744968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).