5-ethoxy-3-[(2-ethyl-1H-imidazol-5-yl)methylidene]-1H-indol-2-one

C16H17N3O2 — CID 78015992

IUPAC5-ethoxy-3-[(2-ethyl-1H-imidazol-5-yl)methylidene]-1H-indol-2-one
SMILESCCOc1ccc2c(c1)C(=Cc1cnc(CC)[nH]1)C(=O)N2
InChIInChI=1S/C16H17N3O2/c1-3-15-17-9-10(18-15)7-13-12-8-11(21-4-2)5-6-14(12)19-16(13)20/h5-9H,3-4H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyIMKOAXAKULOVKI-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.86
Rot. Bonds4

About 5-ethoxy-3-[(2-ethyl-1H-imidazol-5-yl)methylidene]-1H-indol-2-one

5-ethoxy-3-[(2-ethyl-1H-imidazol-5-yl)methylidene]-1H-indol-2-one (PubChem CID 78015992) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 5-ethoxy-3-[(2-ethyl-1H-imidazol-5-yl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name5-ethoxy-3-[(2-ethyl-1H-imidazol-5-yl)methylidene]-1H-indol-2-one
PubChem CID78015992
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name5-ethoxy-3-[(2-ethyl-1H-imidazol-5-yl)methylidene]-1H-indol-2-one
SMILESCCOc1ccc2c(c1)C(=Cc1cnc(CC)[nH]1)C(=O)N2
InChIInChI=1S/C16H17N3O2/c1-3-15-17-9-10(18-15)7-13-12-8-11(21-4-2)5-6-14(12)19-16(13)20/h5-9H,3-4H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyIMKOAXAKULOVKI-UHFFFAOYSA-N
XLogP2.86
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(3Z)-3-[(2-ethyl-1H-imidazol-5-yl)methylidene]-5-methoxy-1H-indol-2-one
CID 71155184
(3Z)-3-[(2-tert-butyl-1H-imidazol-5-yl)methylidene]-5-methoxy-1H-indol-2-one
CID 71155147
3-[[2-(morpholin-4-ylmethyl)-1H-imidazol-5-yl]methylidene]-5-propan-2-yloxy-1H-indol-2-one
CID 78015917
3-[(4-ethoxyphenyl)methylidene]-5-iodo-1H-indol-2-one
CID 57187568
(3E)-3-[(3-ethoxyphenyl)methylidene]-5-methyl-1H-indol-2-one
CID 112979053
5-methoxy-3-[[2-(oxan-4-yl)-1H-imidazol-5-yl]methylidene]-1H-indol-2-one
CID 78015916
3-[(4-ethoxyphenyl)methylidene]-1H-indol-2-one
CID 2803146
(3E)-3-[(2-chlorophenyl)methylidene]-6-ethoxy-1H-indol-2-one
CID 11514939
3-[(4-ethoxyphenyl)methylidene]-5,6-dimethoxy-1H-indol-2-one
CID 936230
(3E)-6-ethoxy-3-[(2-propylphenyl)methylidene]-1H-indol-2-one
CID 58662775
(3E)-3-[(2,3-dimethoxyphenyl)methylidene]-6-ethoxy-1H-indol-2-one
CID 11674249
(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-5-(5-methoxy-2-pyridinyl)-1H-indol-2-one
CID 118696359

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-3-[(2-ethyl-1H-imidazol-5-yl)methylidene]-1H-indol-2-one?
The IUPAC name of 5-ethoxy-3-[(2-ethyl-1H-imidazol-5-yl)methylidene]-1H-indol-2-one (CID 78015992) is 5-ethoxy-3-[(2-ethyl-1H-imidazol-5-yl)methylidene]-1H-indol-2-one.
What is the SMILES notation for 5-ethoxy-3-[(2-ethyl-1H-imidazol-5-yl)methylidene]-1H-indol-2-one?
The canonical SMILES for 5-ethoxy-3-[(2-ethyl-1H-imidazol-5-yl)methylidene]-1H-indol-2-one is CCOc1ccc2c(c1)C(=Cc1cnc(CC)[nH]1)C(=O)N2.
What is the InChIKey of 5-ethoxy-3-[(2-ethyl-1H-imidazol-5-yl)methylidene]-1H-indol-2-one?
The InChIKey is IMKOAXAKULOVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-3-15-17-9-10(18-15)7-13-12-8-11(21-4-2)5-6-14(12)19-16(13)20/h5-9H,3-4H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 5-ethoxy-3-[(2-ethyl-1H-imidazol-5-yl)methylidene]-1H-indol-2-one?
5-ethoxy-3-[(2-ethyl-1H-imidazol-5-yl)methylidene]-1H-indol-2-one has a molecular weight of 283.33 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-3-[(2-ethyl-1H-imidazol-5-yl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 78015992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).