3-[3-(2-hydroxyethyl)-2H-imidazol-1-yl]propan-1-ol

C8H16N2O2 — CID 68799405

IUPAC3-[3-(2-hydroxyethyl)-2H-imidazol-1-yl]propan-1-ol
SMILESOCCCN1C=CN(CCO)C1
InChIInChI=1S/C8H16N2O2/c11-6-1-2-9-3-4-10(8-9)5-7-12/h3-4,11-12H,1-2,5-8H2
InChIKeyWGKYEFMUUCXWGM-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.59
Rot. Bonds5

About 3-[3-(2-hydroxyethyl)-2H-imidazol-1-yl]propan-1-ol

3-[3-(2-hydroxyethyl)-2H-imidazol-1-yl]propan-1-ol (PubChem CID 68799405) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 3-[3-(2-hydroxyethyl)-2H-imidazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[3-(2-hydroxyethyl)-2H-imidazol-1-yl]propan-1-ol
PubChem CID68799405
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name3-[3-(2-hydroxyethyl)-2H-imidazol-1-yl]propan-1-ol
SMILESOCCCN1C=CN(CCO)C1
InChIInChI=1S/C8H16N2O2/c11-6-1-2-9-3-4-10(8-9)5-7-12/h3-4,11-12H,1-2,5-8H2
InChIKeyWGKYEFMUUCXWGM-UHFFFAOYSA-N
XLogP-0.59
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-hydroxyethyl)-2H-imidazol-1-yl]propan-1-ol?
The IUPAC name of 3-[3-(2-hydroxyethyl)-2H-imidazol-1-yl]propan-1-ol (CID 68799405) is 3-[3-(2-hydroxyethyl)-2H-imidazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[3-(2-hydroxyethyl)-2H-imidazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[3-(2-hydroxyethyl)-2H-imidazol-1-yl]propan-1-ol is OCCCN1C=CN(CCO)C1.
What is the InChIKey of 3-[3-(2-hydroxyethyl)-2H-imidazol-1-yl]propan-1-ol?
The InChIKey is WGKYEFMUUCXWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c11-6-1-2-9-3-4-10(8-9)5-7-12/h3-4,11-12H,1-2,5-8H2.
What are the key properties of 3-[3-(2-hydroxyethyl)-2H-imidazol-1-yl]propan-1-ol?
3-[3-(2-hydroxyethyl)-2H-imidazol-1-yl]propan-1-ol has a molecular weight of 172.23 g/mol, XLogP of -0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-hydroxyethyl)-2H-imidazol-1-yl]propan-1-ol is sourced from PubChem (CID 68799405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).