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

C20H23N3O3 — CID 78015943

IUPAC3-[[5-(oxan-4-yl)-1H-imidazol-2-yl]methylidene]-5-propan-2-yloxy-1H-indol-2-one
SMILESCC(C)Oc1ccc2c(c1)C(=Cc1ncc(C3CCOCC3)[nH]1)C(=O)N2
InChIInChI=1S/C20H23N3O3/c1-12(2)26-14-3-4-17-15(9-14)16(20(24)23-17)10-19-21-11-18(22-19)13-5-7-25-8-6-13/h3-4,9-13H,5-8H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyZOWWEUIFWZZDGH-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.58
Rot. Bonds4

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

3-[[5-(oxan-4-yl)-1H-imidazol-2-yl]methylidene]-5-propan-2-yloxy-1H-indol-2-one (PubChem CID 78015943) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 3-[[5-(oxan-4-yl)-1H-imidazol-2-yl]methylidene]-5-propan-2-yloxy-1H-indol-2-one.

Molecular Properties

Compound Name3-[[5-(oxan-4-yl)-1H-imidazol-2-yl]methylidene]-5-propan-2-yloxy-1H-indol-2-one
PubChem CID78015943
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name3-[[5-(oxan-4-yl)-1H-imidazol-2-yl]methylidene]-5-propan-2-yloxy-1H-indol-2-one
SMILESCC(C)Oc1ccc2c(c1)C(=Cc1ncc(C3CCOCC3)[nH]1)C(=O)N2
InChIInChI=1S/C20H23N3O3/c1-12(2)26-14-3-4-17-15(9-14)16(20(24)23-17)10-19-21-11-18(22-19)13-5-7-25-8-6-13/h3-4,9-13H,5-8H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyZOWWEUIFWZZDGH-UHFFFAOYSA-N
XLogP3.58
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.58
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 3-[[5-(oxan-4-yl)-1H-imidazol-2-yl]methylidene]-5-propan-2-yloxy-1H-indol-2-one?
The IUPAC name of 3-[[5-(oxan-4-yl)-1H-imidazol-2-yl]methylidene]-5-propan-2-yloxy-1H-indol-2-one (CID 78015943) is 3-[[5-(oxan-4-yl)-1H-imidazol-2-yl]methylidene]-5-propan-2-yloxy-1H-indol-2-one.
What is the SMILES notation for 3-[[5-(oxan-4-yl)-1H-imidazol-2-yl]methylidene]-5-propan-2-yloxy-1H-indol-2-one?
The canonical SMILES for 3-[[5-(oxan-4-yl)-1H-imidazol-2-yl]methylidene]-5-propan-2-yloxy-1H-indol-2-one is CC(C)Oc1ccc2c(c1)C(=Cc1ncc(C3CCOCC3)[nH]1)C(=O)N2.
What is the InChIKey of 3-[[5-(oxan-4-yl)-1H-imidazol-2-yl]methylidene]-5-propan-2-yloxy-1H-indol-2-one?
The InChIKey is ZOWWEUIFWZZDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-12(2)26-14-3-4-17-15(9-14)16(20(24)23-17)10-19-21-11-18(22-19)13-5-7-25-8-6-13/h3-4,9-13H,5-8H2,1-2H3,(H,21,22)(H,23,24).
What are the key properties of 3-[[5-(oxan-4-yl)-1H-imidazol-2-yl]methylidene]-5-propan-2-yloxy-1H-indol-2-one?
3-[[5-(oxan-4-yl)-1H-imidazol-2-yl]methylidene]-5-propan-2-yloxy-1H-indol-2-one has a molecular weight of 353.42 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(oxan-4-yl)-1H-imidazol-2-yl]methylidene]-5-propan-2-yloxy-1H-indol-2-one is sourced from PubChem (CID 78015943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).