[1-(hydroxymethyl)-4,5-dihydroimidazol-2-yl]methanol

C5H10N2O2 — CID 67571671

IUPAC[1-(hydroxymethyl)-4,5-dihydroimidazol-2-yl]methanol
SMILESOCC1=NCCN1CO
InChIInChI=1S/C5H10N2O2/c8-3-5-6-1-2-7(5)4-9/h8-9H,1-4H2
InChIKeyZUHPHUGZFNBJAC-UHFFFAOYSA-N
MW130.15 g/mol
LogP-1.36
Rot. Bonds2

About [1-(hydroxymethyl)-4,5-dihydroimidazol-2-yl]methanol

[1-(hydroxymethyl)-4,5-dihydroimidazol-2-yl]methanol (PubChem CID 67571671) has the molecular formula C5H10N2O2 and a molecular weight of 130.15 g/mol. Its IUPAC name is [1-(hydroxymethyl)-4,5-dihydroimidazol-2-yl]methanol.

Molecular Properties

Compound Name[1-(hydroxymethyl)-4,5-dihydroimidazol-2-yl]methanol
PubChem CID67571671
Molecular FormulaC5H10N2O2
Molecular Weight130.15 g/mol
Exact Mass130.07
IUPAC Name[1-(hydroxymethyl)-4,5-dihydroimidazol-2-yl]methanol
SMILESOCC1=NCCN1CO
InChIInChI=1S/C5H10N2O2/c8-3-5-6-1-2-7(5)4-9/h8-9H,1-4H2
InChIKeyZUHPHUGZFNBJAC-UHFFFAOYSA-N
XLogP-1.36
TPSA56.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 5-1.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(hydroxymethyl)-4,5-dihydroimidazol-2-yl]methanol?
The IUPAC name of [1-(hydroxymethyl)-4,5-dihydroimidazol-2-yl]methanol (CID 67571671) is [1-(hydroxymethyl)-4,5-dihydroimidazol-2-yl]methanol.
What is the SMILES notation for [1-(hydroxymethyl)-4,5-dihydroimidazol-2-yl]methanol?
The canonical SMILES for [1-(hydroxymethyl)-4,5-dihydroimidazol-2-yl]methanol is OCC1=NCCN1CO.
What is the InChIKey of [1-(hydroxymethyl)-4,5-dihydroimidazol-2-yl]methanol?
The InChIKey is ZUHPHUGZFNBJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O2/c8-3-5-6-1-2-7(5)4-9/h8-9H,1-4H2.
What are the key properties of [1-(hydroxymethyl)-4,5-dihydroimidazol-2-yl]methanol?
[1-(hydroxymethyl)-4,5-dihydroimidazol-2-yl]methanol has a molecular weight of 130.15 g/mol, XLogP of -1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(hydroxymethyl)-4,5-dihydroimidazol-2-yl]methanol is sourced from PubChem (CID 67571671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).