1-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-2-yl]propan-2-ol

C8H16N2O2 — CID 67876683

IUPAC1-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-2-yl]propan-2-ol
SMILESCC(O)CC1=NCCN1CCO
InChIInChI=1S/C8H16N2O2/c1-7(12)6-8-9-2-3-10(8)4-5-11/h7,11-12H,2-6H2,1H3
InChIKeyCFQIKGCYPGFPSS-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.54
Rot. Bonds4

About 1-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-2-yl]propan-2-ol

1-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-2-yl]propan-2-ol (PubChem CID 67876683) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 1-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-2-yl]propan-2-ol
PubChem CID67876683
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name1-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-2-yl]propan-2-ol
SMILESCC(O)CC1=NCCN1CCO
InChIInChI=1S/C8H16N2O2/c1-7(12)6-8-9-2-3-10(8)4-5-11/h7,11-12H,2-6H2,1H3
InChIKeyCFQIKGCYPGFPSS-UHFFFAOYSA-N
XLogP-0.54
TPSA56.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-2-yl]propan-2-ol?
The IUPAC name of 1-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-2-yl]propan-2-ol (CID 67876683) is 1-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-2-yl]propan-2-ol.
What is the SMILES notation for 1-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-2-yl]propan-2-ol?
The canonical SMILES for 1-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-2-yl]propan-2-ol is CC(O)CC1=NCCN1CCO.
What is the InChIKey of 1-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-2-yl]propan-2-ol?
The InChIKey is CFQIKGCYPGFPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-7(12)6-8-9-2-3-10(8)4-5-11/h7,11-12H,2-6H2,1H3.
What are the key properties of 1-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-2-yl]propan-2-ol?
1-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-2-yl]propan-2-ol has a molecular weight of 172.23 g/mol, XLogP of -0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-2-yl]propan-2-ol is sourced from PubChem (CID 67876683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).