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

C20H24N4O3 — CID 78015917

IUPAC3-[[2-(morpholin-4-ylmethyl)-1H-imidazol-5-yl]methylidene]-5-propan-2-yloxy-1H-indol-2-one
SMILESCC(C)Oc1ccc2c(c1)C(=Cc1cnc(CN3CCOCC3)[nH]1)C(=O)N2
InChIInChI=1S/C20H24N4O3/c1-13(2)27-15-3-4-18-16(10-15)17(20(25)23-18)9-14-11-21-19(22-14)12-24-5-7-26-8-6-24/h3-4,9-11,13H,5-8,12H2,1-2H3,(H,21,22)(H,23,25)
InChIKeyMXUBMZIMQBPOIG-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.52
Rot. Bonds5

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

3-[[2-(morpholin-4-ylmethyl)-1H-imidazol-5-yl]methylidene]-5-propan-2-yloxy-1H-indol-2-one (PubChem CID 78015917) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 3-[[2-(morpholin-4-ylmethyl)-1H-imidazol-5-yl]methylidene]-5-propan-2-yloxy-1H-indol-2-one.

Molecular Properties

Compound Name3-[[2-(morpholin-4-ylmethyl)-1H-imidazol-5-yl]methylidene]-5-propan-2-yloxy-1H-indol-2-one
PubChem CID78015917
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name3-[[2-(morpholin-4-ylmethyl)-1H-imidazol-5-yl]methylidene]-5-propan-2-yloxy-1H-indol-2-one
SMILESCC(C)Oc1ccc2c(c1)C(=Cc1cnc(CN3CCOCC3)[nH]1)C(=O)N2
InChIInChI=1S/C20H24N4O3/c1-13(2)27-15-3-4-18-16(10-15)17(20(25)23-18)9-14-11-21-19(22-14)12-24-5-7-26-8-6-24/h3-4,9-11,13H,5-8,12H2,1-2H3,(H,21,22)(H,23,25)
InChIKeyMXUBMZIMQBPOIG-UHFFFAOYSA-N
XLogP2.52
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.52
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 3-[[2-(morpholin-4-ylmethyl)-1H-imidazol-5-yl]methylidene]-5-propan-2-yloxy-1H-indol-2-one?
The IUPAC name of 3-[[2-(morpholin-4-ylmethyl)-1H-imidazol-5-yl]methylidene]-5-propan-2-yloxy-1H-indol-2-one (CID 78015917) is 3-[[2-(morpholin-4-ylmethyl)-1H-imidazol-5-yl]methylidene]-5-propan-2-yloxy-1H-indol-2-one.
What is the SMILES notation for 3-[[2-(morpholin-4-ylmethyl)-1H-imidazol-5-yl]methylidene]-5-propan-2-yloxy-1H-indol-2-one?
The canonical SMILES for 3-[[2-(morpholin-4-ylmethyl)-1H-imidazol-5-yl]methylidene]-5-propan-2-yloxy-1H-indol-2-one is CC(C)Oc1ccc2c(c1)C(=Cc1cnc(CN3CCOCC3)[nH]1)C(=O)N2.
What is the InChIKey of 3-[[2-(morpholin-4-ylmethyl)-1H-imidazol-5-yl]methylidene]-5-propan-2-yloxy-1H-indol-2-one?
The InChIKey is MXUBMZIMQBPOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-13(2)27-15-3-4-18-16(10-15)17(20(25)23-18)9-14-11-21-19(22-14)12-24-5-7-26-8-6-24/h3-4,9-11,13H,5-8,12H2,1-2H3,(H,21,22)(H,23,25).
What are the key properties of 3-[[2-(morpholin-4-ylmethyl)-1H-imidazol-5-yl]methylidene]-5-propan-2-yloxy-1H-indol-2-one?
3-[[2-(morpholin-4-ylmethyl)-1H-imidazol-5-yl]methylidene]-5-propan-2-yloxy-1H-indol-2-one has a molecular weight of 368.44 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(morpholin-4-ylmethyl)-1H-imidazol-5-yl]methylidene]-5-propan-2-yloxy-1H-indol-2-one is sourced from PubChem (CID 78015917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).