1-(3-cyclopropylimidazol-4-yl)-2-ethoxyethanol

C10H16N2O2 — CID 79567273

IUPAC1-(3-cyclopropylimidazol-4-yl)-2-ethoxyethanol
SMILESCCOCC(O)c1cncn1C1CC1
InChIInChI=1S/C10H16N2O2/c1-2-14-6-10(13)9-5-11-7-12(9)8-3-4-8/h5,7-8,10,13H,2-4,6H2,1H3
InChIKeyCSPDBJKXGCCDET-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.29
Rot. Bonds5

About 1-(3-cyclopropylimidazol-4-yl)-2-ethoxyethanol

1-(3-cyclopropylimidazol-4-yl)-2-ethoxyethanol (PubChem CID 79567273) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-(3-cyclopropylimidazol-4-yl)-2-ethoxyethanol.

Molecular Properties

Compound Name1-(3-cyclopropylimidazol-4-yl)-2-ethoxyethanol
PubChem CID79567273
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name1-(3-cyclopropylimidazol-4-yl)-2-ethoxyethanol
SMILESCCOCC(O)c1cncn1C1CC1
InChIInChI=1S/C10H16N2O2/c1-2-14-6-10(13)9-5-11-7-12(9)8-3-4-8/h5,7-8,10,13H,2-4,6H2,1H3
InChIKeyCSPDBJKXGCCDET-UHFFFAOYSA-N
XLogP1.29
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropylimidazol-4-yl)-2-ethoxyethanol?
The IUPAC name of 1-(3-cyclopropylimidazol-4-yl)-2-ethoxyethanol (CID 79567273) is 1-(3-cyclopropylimidazol-4-yl)-2-ethoxyethanol.
What is the SMILES notation for 1-(3-cyclopropylimidazol-4-yl)-2-ethoxyethanol?
The canonical SMILES for 1-(3-cyclopropylimidazol-4-yl)-2-ethoxyethanol is CCOCC(O)c1cncn1C1CC1.
What is the InChIKey of 1-(3-cyclopropylimidazol-4-yl)-2-ethoxyethanol?
The InChIKey is CSPDBJKXGCCDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-2-14-6-10(13)9-5-11-7-12(9)8-3-4-8/h5,7-8,10,13H,2-4,6H2,1H3.
What are the key properties of 1-(3-cyclopropylimidazol-4-yl)-2-ethoxyethanol?
1-(3-cyclopropylimidazol-4-yl)-2-ethoxyethanol has a molecular weight of 196.25 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropylimidazol-4-yl)-2-ethoxyethanol is sourced from PubChem (CID 79567273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).