5-methoxy-3-[[2-(oxan-4-yl)-1H-imidazol-5-yl]methylidene]-1H-indol-2-one

C18H19N3O3 — CID 78015916

IUPAC5-methoxy-3-[[2-(oxan-4-yl)-1H-imidazol-5-yl]methylidene]-1H-indol-2-one
SMILESCOc1ccc2c(c1)C(=Cc1cnc(C3CCOCC3)[nH]1)C(=O)N2
InChIInChI=1S/C18H19N3O3/c1-23-13-2-3-16-14(9-13)15(18(22)21-16)8-12-10-19-17(20-12)11-4-6-24-7-5-11/h2-3,8-11H,4-7H2,1H3,(H,19,20)(H,21,22)
InChIKeyFGCXDELHWPLMMG-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.81
Rot. Bonds3

About 5-methoxy-3-[[2-(oxan-4-yl)-1H-imidazol-5-yl]methylidene]-1H-indol-2-one

5-methoxy-3-[[2-(oxan-4-yl)-1H-imidazol-5-yl]methylidene]-1H-indol-2-one (PubChem CID 78015916) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 5-methoxy-3-[[2-(oxan-4-yl)-1H-imidazol-5-yl]methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name5-methoxy-3-[[2-(oxan-4-yl)-1H-imidazol-5-yl]methylidene]-1H-indol-2-one
PubChem CID78015916
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name5-methoxy-3-[[2-(oxan-4-yl)-1H-imidazol-5-yl]methylidene]-1H-indol-2-one
SMILESCOc1ccc2c(c1)C(=Cc1cnc(C3CCOCC3)[nH]1)C(=O)N2
InChIInChI=1S/C18H19N3O3/c1-23-13-2-3-16-14(9-13)15(18(22)21-16)8-12-10-19-17(20-12)11-4-6-24-7-5-11/h2-3,8-11H,4-7H2,1H3,(H,19,20)(H,21,22)
InChIKeyFGCXDELHWPLMMG-UHFFFAOYSA-N
XLogP2.81
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 5-methoxy-3-[[2-(oxan-4-yl)-1H-imidazol-5-yl]methylidene]-1H-indol-2-one?
The IUPAC name of 5-methoxy-3-[[2-(oxan-4-yl)-1H-imidazol-5-yl]methylidene]-1H-indol-2-one (CID 78015916) is 5-methoxy-3-[[2-(oxan-4-yl)-1H-imidazol-5-yl]methylidene]-1H-indol-2-one.
What is the SMILES notation for 5-methoxy-3-[[2-(oxan-4-yl)-1H-imidazol-5-yl]methylidene]-1H-indol-2-one?
The canonical SMILES for 5-methoxy-3-[[2-(oxan-4-yl)-1H-imidazol-5-yl]methylidene]-1H-indol-2-one is COc1ccc2c(c1)C(=Cc1cnc(C3CCOCC3)[nH]1)C(=O)N2.
What is the InChIKey of 5-methoxy-3-[[2-(oxan-4-yl)-1H-imidazol-5-yl]methylidene]-1H-indol-2-one?
The InChIKey is FGCXDELHWPLMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-23-13-2-3-16-14(9-13)15(18(22)21-16)8-12-10-19-17(20-12)11-4-6-24-7-5-11/h2-3,8-11H,4-7H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 5-methoxy-3-[[2-(oxan-4-yl)-1H-imidazol-5-yl]methylidene]-1H-indol-2-one?
5-methoxy-3-[[2-(oxan-4-yl)-1H-imidazol-5-yl]methylidene]-1H-indol-2-one has a molecular weight of 325.37 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-[[2-(oxan-4-yl)-1H-imidazol-5-yl]methylidene]-1H-indol-2-one is sourced from PubChem (CID 78015916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).