1-(1-ethylimidazol-2-yl)-3-(furan-2-yl)propan-1-ol

C12H16N2O2 — CID 105098994

IUPAC1-(1-ethylimidazol-2-yl)-3-(furan-2-yl)propan-1-ol
SMILESCCn1ccnc1C(O)CCc1ccco1
InChIInChI=1S/C12H16N2O2/c1-2-14-8-7-13-12(14)11(15)6-5-10-4-3-9-16-10/h3-4,7-9,11,15H,2,5-6H2,1H3
InChIKeyCXBWKWCFSVLICQ-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.16
Rot. Bonds5

About 1-(1-ethylimidazol-2-yl)-3-(furan-2-yl)propan-1-ol

1-(1-ethylimidazol-2-yl)-3-(furan-2-yl)propan-1-ol (PubChem CID 105098994) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-(1-ethylimidazol-2-yl)-3-(furan-2-yl)propan-1-ol.

Molecular Properties

Compound Name1-(1-ethylimidazol-2-yl)-3-(furan-2-yl)propan-1-ol
PubChem CID105098994
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name1-(1-ethylimidazol-2-yl)-3-(furan-2-yl)propan-1-ol
SMILESCCn1ccnc1C(O)CCc1ccco1
InChIInChI=1S/C12H16N2O2/c1-2-14-8-7-13-12(14)11(15)6-5-10-4-3-9-16-10/h3-4,7-9,11,15H,2,5-6H2,1H3
InChIKeyCXBWKWCFSVLICQ-UHFFFAOYSA-N
XLogP2.16
TPSA51.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(1-ethylimidazol-2-yl)-3-(furan-2-yl)propyl]hydrazine
CID 105308405
[3-(furan-2-yl)-1-(1-methylimidazol-2-yl)propyl]hydrazine
CID 105308202
1-(furan-2-ylmethyl)-2-[(2R)-pentan-2-yl]imidazole
CID 95204772
(S)-[1-[3-(furan-2-yl)propyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 124757025
3-ethoxy-1-(1-ethylimidazol-2-yl)propan-1-ol
CID 105099040
(2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(2R)-4-(furan-2-yl)butan-2-yl]oxan-3-amine
CID 129400622
1-(1-ethylimidazol-2-yl)-2-pyridin-2-ylethanol
CID 63977321
3-(furan-2-yl)-1-(4-propylphenyl)propan-1-ol
CID 105095239
N-[(1-ethylimidazol-2-yl)-(furan-2-yl)methyl]propan-1-amine
CID 61315206
1-(1-methylimidazol-2-yl)-3-pyridin-4-ylpropan-1-ol
CID 105098837
1-(3,4-diethoxyphenyl)-3-(furan-2-yl)propan-1-ol
CID 105094403
5-ethyl-2-[1-[2-(furan-2-yl)ethyl]imidazol-2-yl]pyridine
CID 56867577

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylimidazol-2-yl)-3-(furan-2-yl)propan-1-ol?
The IUPAC name of 1-(1-ethylimidazol-2-yl)-3-(furan-2-yl)propan-1-ol (CID 105098994) is 1-(1-ethylimidazol-2-yl)-3-(furan-2-yl)propan-1-ol.
What is the SMILES notation for 1-(1-ethylimidazol-2-yl)-3-(furan-2-yl)propan-1-ol?
The canonical SMILES for 1-(1-ethylimidazol-2-yl)-3-(furan-2-yl)propan-1-ol is CCn1ccnc1C(O)CCc1ccco1.
What is the InChIKey of 1-(1-ethylimidazol-2-yl)-3-(furan-2-yl)propan-1-ol?
The InChIKey is CXBWKWCFSVLICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-2-14-8-7-13-12(14)11(15)6-5-10-4-3-9-16-10/h3-4,7-9,11,15H,2,5-6H2,1H3.
What are the key properties of 1-(1-ethylimidazol-2-yl)-3-(furan-2-yl)propan-1-ol?
1-(1-ethylimidazol-2-yl)-3-(furan-2-yl)propan-1-ol has a molecular weight of 220.27 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylimidazol-2-yl)-3-(furan-2-yl)propan-1-ol is sourced from PubChem (CID 105098994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).