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

C13H18N2O3 — CID 109411210

IUPAC1-(2-ethylimidazol-1-yl)-3-(furan-2-ylmethoxy)propan-2-ol
SMILESCCc1nccn1CC(O)COCc1ccco1
InChIInChI=1S/C13H18N2O3/c1-2-13-14-5-6-15(13)8-11(16)9-17-10-12-4-3-7-18-12/h3-7,11,16H,2,8-10H2,1H3
InChIKeyPNAWJMJAPMLPDH-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.62
Rot. Bonds7

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

1-(2-ethylimidazol-1-yl)-3-(furan-2-ylmethoxy)propan-2-ol (PubChem CID 109411210) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-(2-ethylimidazol-1-yl)-3-(furan-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2-ethylimidazol-1-yl)-3-(furan-2-ylmethoxy)propan-2-ol
PubChem CID109411210
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name1-(2-ethylimidazol-1-yl)-3-(furan-2-ylmethoxy)propan-2-ol
SMILESCCc1nccn1CC(O)COCc1ccco1
InChIInChI=1S/C13H18N2O3/c1-2-13-14-5-6-15(13)8-11(16)9-17-10-12-4-3-7-18-12/h3-7,11,16H,2,8-10H2,1H3
InChIKeyPNAWJMJAPMLPDH-UHFFFAOYSA-N
XLogP1.62
TPSA60.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-(furan-2-ylmethoxy)-3-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]propan-2-ol
CID 95313186
1-(benzimidazol-1-yl)-3-(furan-2-ylmethoxy)propan-2-ol
CID 23992237
(2R)-1-(5,6-dimethylbenzimidazol-1-yl)-3-(furan-2-ylmethoxy)propan-2-ol
CID 25384233
7-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione
CID 31297735
(2S)-1-(furan-2-ylmethoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 942774
1-(furan-2-ylmethoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 2771920
1-(furan-2-ylmethoxy)-3-[4-(1-hydroxyethyl)piperidin-1-yl]propan-2-ol
CID 111116661
1-(furan-2-ylmethoxy)-3-(methylamino)propan-2-ol
CID 2771927
5-(4-chlorophenyl)-3-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione
CID 51222955
1-(2,5-dimethylphenoxy)-3-(2-ethylimidazol-1-yl)propan-2-ol
CID 109411226
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(furan-2-ylmethoxy)propan-2-ol
CID 3681676
7-fluoro-3-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]quinazolin-4-one
CID 51981456

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylimidazol-1-yl)-3-(furan-2-ylmethoxy)propan-2-ol?
The IUPAC name of 1-(2-ethylimidazol-1-yl)-3-(furan-2-ylmethoxy)propan-2-ol (CID 109411210) is 1-(2-ethylimidazol-1-yl)-3-(furan-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for 1-(2-ethylimidazol-1-yl)-3-(furan-2-ylmethoxy)propan-2-ol?
The canonical SMILES for 1-(2-ethylimidazol-1-yl)-3-(furan-2-ylmethoxy)propan-2-ol is CCc1nccn1CC(O)COCc1ccco1.
What is the InChIKey of 1-(2-ethylimidazol-1-yl)-3-(furan-2-ylmethoxy)propan-2-ol?
The InChIKey is PNAWJMJAPMLPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-2-13-14-5-6-15(13)8-11(16)9-17-10-12-4-3-7-18-12/h3-7,11,16H,2,8-10H2,1H3.
What are the key properties of 1-(2-ethylimidazol-1-yl)-3-(furan-2-ylmethoxy)propan-2-ol?
1-(2-ethylimidazol-1-yl)-3-(furan-2-ylmethoxy)propan-2-ol has a molecular weight of 250.30 g/mol, XLogP of 1.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylimidazol-1-yl)-3-(furan-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 109411210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).