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

C14H15N3O3 — CID 135444044

IUPAC4-[(4-hydroxyphenyl)methylidene]-2-morpholin-4-yl-1H-imidazol-5-one
SMILESO=C1NC(N2CCOCC2)=NC1=Cc1ccc(O)cc1
InChIInChI=1S/C14H15N3O3/c18-11-3-1-10(2-4-11)9-12-13(19)16-14(15-12)17-5-7-20-8-6-17/h1-4,9,18H,5-8H2,(H,15,16,19)
InChIKeyKBQRQNYGGFOQDC-UHFFFAOYSA-N
MW273.29 g/mol
LogP0.55
Rot. Bonds1

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

4-[(4-hydroxyphenyl)methylidene]-2-morpholin-4-yl-1H-imidazol-5-one (PubChem CID 135444044) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 4-[(4-hydroxyphenyl)methylidene]-2-morpholin-4-yl-1H-imidazol-5-one.

Molecular Properties

Compound Name4-[(4-hydroxyphenyl)methylidene]-2-morpholin-4-yl-1H-imidazol-5-one
PubChem CID135444044
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name4-[(4-hydroxyphenyl)methylidene]-2-morpholin-4-yl-1H-imidazol-5-one
SMILESO=C1NC(N2CCOCC2)=NC1=Cc1ccc(O)cc1
InChIInChI=1S/C14H15N3O3/c18-11-3-1-10(2-4-11)9-12-13(19)16-14(15-12)17-5-7-20-8-6-17/h1-4,9,18H,5-8H2,(H,15,16,19)
InChIKeyKBQRQNYGGFOQDC-UHFFFAOYSA-N
XLogP0.55
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(4-hydroxyphenyl)methylidene]-2-morpholin-4-yl-1H-imidazol-5-one?
The IUPAC name of 4-[(4-hydroxyphenyl)methylidene]-2-morpholin-4-yl-1H-imidazol-5-one (CID 135444044) is 4-[(4-hydroxyphenyl)methylidene]-2-morpholin-4-yl-1H-imidazol-5-one.
What is the SMILES notation for 4-[(4-hydroxyphenyl)methylidene]-2-morpholin-4-yl-1H-imidazol-5-one?
The canonical SMILES for 4-[(4-hydroxyphenyl)methylidene]-2-morpholin-4-yl-1H-imidazol-5-one is O=C1NC(N2CCOCC2)=NC1=Cc1ccc(O)cc1.
What is the InChIKey of 4-[(4-hydroxyphenyl)methylidene]-2-morpholin-4-yl-1H-imidazol-5-one?
The InChIKey is KBQRQNYGGFOQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c18-11-3-1-10(2-4-11)9-12-13(19)16-14(15-12)17-5-7-20-8-6-17/h1-4,9,18H,5-8H2,(H,15,16,19).
What are the key properties of 4-[(4-hydroxyphenyl)methylidene]-2-morpholin-4-yl-1H-imidazol-5-one?
4-[(4-hydroxyphenyl)methylidene]-2-morpholin-4-yl-1H-imidazol-5-one has a molecular weight of 273.29 g/mol, XLogP of 0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxyphenyl)methylidene]-2-morpholin-4-yl-1H-imidazol-5-one is sourced from PubChem (CID 135444044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).