4-[(2-hydroxyphenyl)methylidene]-1H-imidazol-5-one

C10H8N2O2 — CID 136930533

IUPAC4-[(2-hydroxyphenyl)methylidene]-1H-imidazol-5-one
SMILESO=C1NC=NC1=Cc1ccccc1O
InChIInChI=1S/C10H8N2O2/c13-9-4-2-1-3-7(9)5-8-10(14)12-6-11-8/h1-6,13H,(H,11,12,14)
InChIKeyMRXYSQDPLYZROJ-UHFFFAOYSA-N
MW188.19 g/mol
LogP0.89
Rot. Bonds1

About 4-[(2-hydroxyphenyl)methylidene]-1H-imidazol-5-one

4-[(2-hydroxyphenyl)methylidene]-1H-imidazol-5-one (PubChem CID 136930533) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is 4-[(2-hydroxyphenyl)methylidene]-1H-imidazol-5-one.

Molecular Properties

Compound Name4-[(2-hydroxyphenyl)methylidene]-1H-imidazol-5-one
PubChem CID136930533
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name4-[(2-hydroxyphenyl)methylidene]-1H-imidazol-5-one
SMILESO=C1NC=NC1=Cc1ccccc1O
InChIInChI=1S/C10H8N2O2/c13-9-4-2-1-3-7(9)5-8-10(14)12-6-11-8/h1-6,13H,(H,11,12,14)
InChIKeyMRXYSQDPLYZROJ-UHFFFAOYSA-N
XLogP0.89
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxyphenyl)methylidene]-1H-imidazol-5-one?
The IUPAC name of 4-[(2-hydroxyphenyl)methylidene]-1H-imidazol-5-one (CID 136930533) is 4-[(2-hydroxyphenyl)methylidene]-1H-imidazol-5-one.
What is the SMILES notation for 4-[(2-hydroxyphenyl)methylidene]-1H-imidazol-5-one?
The canonical SMILES for 4-[(2-hydroxyphenyl)methylidene]-1H-imidazol-5-one is O=C1NC=NC1=Cc1ccccc1O.
What is the InChIKey of 4-[(2-hydroxyphenyl)methylidene]-1H-imidazol-5-one?
The InChIKey is MRXYSQDPLYZROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c13-9-4-2-1-3-7(9)5-8-10(14)12-6-11-8/h1-6,13H,(H,11,12,14).
What are the key properties of 4-[(2-hydroxyphenyl)methylidene]-1H-imidazol-5-one?
4-[(2-hydroxyphenyl)methylidene]-1H-imidazol-5-one has a molecular weight of 188.19 g/mol, XLogP of 0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxyphenyl)methylidene]-1H-imidazol-5-one is sourced from PubChem (CID 136930533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).