3-(hydroxymethyl)-1H-imidazol-2-one

C4H6N2O2 — CID 69401320

IUPAC3-(hydroxymethyl)-1H-imidazol-2-one
SMILESO=c1[nH]ccn1CO
InChIInChI=1S/C4H6N2O2/c7-3-6-2-1-5-4(6)8/h1-2,7H,3H2,(H,5,8)
InChIKeyGBCBUHLNYTWPSZ-UHFFFAOYSA-N
MW114.10 g/mol
LogP-0.87
Rot. Bonds1

About 3-(hydroxymethyl)-1H-imidazol-2-one

3-(hydroxymethyl)-1H-imidazol-2-one (PubChem CID 69401320) has the molecular formula C4H6N2O2 and a molecular weight of 114.10 g/mol. Its IUPAC name is 3-(hydroxymethyl)-1H-imidazol-2-one.

Molecular Properties

Compound Name3-(hydroxymethyl)-1H-imidazol-2-one
PubChem CID69401320
Molecular FormulaC4H6N2O2
Molecular Weight114.10 g/mol
Exact Mass114.04
IUPAC Name3-(hydroxymethyl)-1H-imidazol-2-one
SMILESO=c1[nH]ccn1CO
InChIInChI=1S/C4H6N2O2/c7-3-6-2-1-5-4(6)8/h1-2,7H,3H2,(H,5,8)
InChIKeyGBCBUHLNYTWPSZ-UHFFFAOYSA-N
XLogP-0.87
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.10
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-1H-imidazol-2-one?
The IUPAC name of 3-(hydroxymethyl)-1H-imidazol-2-one (CID 69401320) is 3-(hydroxymethyl)-1H-imidazol-2-one.
What is the SMILES notation for 3-(hydroxymethyl)-1H-imidazol-2-one?
The canonical SMILES for 3-(hydroxymethyl)-1H-imidazol-2-one is O=c1[nH]ccn1CO.
What is the InChIKey of 3-(hydroxymethyl)-1H-imidazol-2-one?
The InChIKey is GBCBUHLNYTWPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O2/c7-3-6-2-1-5-4(6)8/h1-2,7H,3H2,(H,5,8).
What are the key properties of 3-(hydroxymethyl)-1H-imidazol-2-one?
3-(hydroxymethyl)-1H-imidazol-2-one has a molecular weight of 114.10 g/mol, XLogP of -0.87, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-1H-imidazol-2-one is sourced from PubChem (CID 69401320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).