3-(4-iodophenyl)-5-morpholin-4-yl-4H-imidazol-2-one

C13H14IN3O2 — CID 11603142

IUPAC3-(4-iodophenyl)-5-morpholin-4-yl-4H-imidazol-2-one
SMILESO=C1N=C(N2CCOCC2)CN1c1ccc(I)cc1
InChIInChI=1S/C13H14IN3O2/c14-10-1-3-11(4-2-10)17-9-12(15-13(17)18)16-5-7-19-8-6-16/h1-4H,5-9H2
InChIKeyVNFFKHHBLBNKBB-UHFFFAOYSA-N
MW371.18 g/mol
LogP1.96
Rot. Bonds1

About 3-(4-iodophenyl)-5-morpholin-4-yl-4H-imidazol-2-one

3-(4-iodophenyl)-5-morpholin-4-yl-4H-imidazol-2-one (PubChem CID 11603142) has the molecular formula C13H14IN3O2 and a molecular weight of 371.18 g/mol. Its IUPAC name is 3-(4-iodophenyl)-5-morpholin-4-yl-4H-imidazol-2-one.

Molecular Properties

Compound Name3-(4-iodophenyl)-5-morpholin-4-yl-4H-imidazol-2-one
PubChem CID11603142
Molecular FormulaC13H14IN3O2
Molecular Weight371.18 g/mol
Exact Mass371.01
IUPAC Name3-(4-iodophenyl)-5-morpholin-4-yl-4H-imidazol-2-one
SMILESO=C1N=C(N2CCOCC2)CN1c1ccc(I)cc1
InChIInChI=1S/C13H14IN3O2/c14-10-1-3-11(4-2-10)17-9-12(15-13(17)18)16-5-7-19-8-6-16/h1-4H,5-9H2
InChIKeyVNFFKHHBLBNKBB-UHFFFAOYSA-N
XLogP1.96
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.18
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-iodophenyl)-5-morpholin-4-yl-4H-imidazol-2-one?
The IUPAC name of 3-(4-iodophenyl)-5-morpholin-4-yl-4H-imidazol-2-one (CID 11603142) is 3-(4-iodophenyl)-5-morpholin-4-yl-4H-imidazol-2-one.
What is the SMILES notation for 3-(4-iodophenyl)-5-morpholin-4-yl-4H-imidazol-2-one?
The canonical SMILES for 3-(4-iodophenyl)-5-morpholin-4-yl-4H-imidazol-2-one is O=C1N=C(N2CCOCC2)CN1c1ccc(I)cc1.
What is the InChIKey of 3-(4-iodophenyl)-5-morpholin-4-yl-4H-imidazol-2-one?
The InChIKey is VNFFKHHBLBNKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14IN3O2/c14-10-1-3-11(4-2-10)17-9-12(15-13(17)18)16-5-7-19-8-6-16/h1-4H,5-9H2.
What are the key properties of 3-(4-iodophenyl)-5-morpholin-4-yl-4H-imidazol-2-one?
3-(4-iodophenyl)-5-morpholin-4-yl-4H-imidazol-2-one has a molecular weight of 371.18 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-iodophenyl)-5-morpholin-4-yl-4H-imidazol-2-one is sourced from PubChem (CID 11603142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).