3-[2-(hydroxymethyl)phenyl]-1H-imidazol-2-one

C10H10N2O2 — CID 84662478

IUPAC3-[2-(hydroxymethyl)phenyl]-1H-imidazol-2-one
SMILESO=c1[nH]ccn1-c1ccccc1CO
InChIInChI=1S/C10H10N2O2/c13-7-8-3-1-2-4-9(8)12-6-5-11-10(12)14/h1-6,13H,7H2,(H,11,14)
InChIKeyMLTXIEGVHBAOJV-UHFFFAOYSA-N
MW190.20 g/mol
LogP0.66
Rot. Bonds2

About 3-[2-(hydroxymethyl)phenyl]-1H-imidazol-2-one

3-[2-(hydroxymethyl)phenyl]-1H-imidazol-2-one (PubChem CID 84662478) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 3-[2-(hydroxymethyl)phenyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[2-(hydroxymethyl)phenyl]-1H-imidazol-2-one
PubChem CID84662478
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name3-[2-(hydroxymethyl)phenyl]-1H-imidazol-2-one
SMILESO=c1[nH]ccn1-c1ccccc1CO
InChIInChI=1S/C10H10N2O2/c13-7-8-3-1-2-4-9(8)12-6-5-11-10(12)14/h1-6,13H,7H2,(H,11,14)
InChIKeyMLTXIEGVHBAOJV-UHFFFAOYSA-N
XLogP0.66
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(hydroxymethyl)phenyl]-1H-imidazol-2-one?
The IUPAC name of 3-[2-(hydroxymethyl)phenyl]-1H-imidazol-2-one (CID 84662478) is 3-[2-(hydroxymethyl)phenyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-[2-(hydroxymethyl)phenyl]-1H-imidazol-2-one?
The canonical SMILES for 3-[2-(hydroxymethyl)phenyl]-1H-imidazol-2-one is O=c1[nH]ccn1-c1ccccc1CO.
What is the InChIKey of 3-[2-(hydroxymethyl)phenyl]-1H-imidazol-2-one?
The InChIKey is MLTXIEGVHBAOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c13-7-8-3-1-2-4-9(8)12-6-5-11-10(12)14/h1-6,13H,7H2,(H,11,14).
What are the key properties of 3-[2-(hydroxymethyl)phenyl]-1H-imidazol-2-one?
3-[2-(hydroxymethyl)phenyl]-1H-imidazol-2-one has a molecular weight of 190.20 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(hydroxymethyl)phenyl]-1H-imidazol-2-one is sourced from PubChem (CID 84662478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).