(3Z)-3-[(2-tert-butyl-1H-imidazol-5-yl)methylidene]-5-methoxy-1H-indol-2-one

C17H19N3O2 — CID 71155147

IUPAC(3Z)-3-[(2-tert-butyl-1H-imidazol-5-yl)methylidene]-5-methoxy-1H-indol-2-one
SMILESCOc1ccc2c(c1)/C(=C/c1cnc(C(C)(C)C)[nH]1)C(=O)N2
InChIInChI=1S/C17H19N3O2/c1-17(2,3)16-18-9-10(19-16)7-13-12-8-11(22-4)5-6-14(12)20-15(13)21/h5-9H,1-4H3,(H,18,19)(H,20,21)/b13-7-
InChIKeyYJMAGODORMZBCF-QPEQYQDCSA-N
MW297.36 g/mol
LogP3.21
Rot. Bonds2

About (3Z)-3-[(2-tert-butyl-1H-imidazol-5-yl)methylidene]-5-methoxy-1H-indol-2-one

(3Z)-3-[(2-tert-butyl-1H-imidazol-5-yl)methylidene]-5-methoxy-1H-indol-2-one (PubChem CID 71155147) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is (3Z)-3-[(2-tert-butyl-1H-imidazol-5-yl)methylidene]-5-methoxy-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[(2-tert-butyl-1H-imidazol-5-yl)methylidene]-5-methoxy-1H-indol-2-one
PubChem CID71155147
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name(3Z)-3-[(2-tert-butyl-1H-imidazol-5-yl)methylidene]-5-methoxy-1H-indol-2-one
SMILESCOc1ccc2c(c1)/C(=C/c1cnc(C(C)(C)C)[nH]1)C(=O)N2
InChIInChI=1S/C17H19N3O2/c1-17(2,3)16-18-9-10(19-16)7-13-12-8-11(22-4)5-6-14(12)20-15(13)21/h5-9H,1-4H3,(H,18,19)(H,20,21)/b13-7-
InChIKeyYJMAGODORMZBCF-QPEQYQDCSA-N
XLogP3.21
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.21
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
5-methoxy-3-[[2-(oxan-4-yl)-1H-imidazol-5-yl]methylidene]-1H-indol-2-one
CID 78015916
5-ethoxy-3-[(2-ethyl-1H-imidazol-5-yl)methylidene]-1H-indol-2-one
CID 78015992
(3E)-5-methoxy-3-[[3-[(E)-(5-methoxy-2-oxo-1H-indol-3-ylidene)methyl]phenyl]methylidene]-1H-indol-2-one
CID 46887441
(3E)-3-[(5-dimethylphosphoryl-1H-pyrrol-2-yl)methylidene]-5-methoxy-1H-indol-2-one
CID 23398037
5-methoxy-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one
CID 57324222
(3E)-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-5-methoxy-1H-indol-2-one
CID 118714393
(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-5-(5-methoxy-2-pyridinyl)-1H-indol-2-one
CID 118696359
(3E)-3-[(5-fluoro-2-methoxyphenyl)methylidene]-5-methoxy-1H-indol-2-one
CID 112979164
(3E)-5-methoxy-3-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-1H-indol-2-one
CID 22500303
(3E)-3-[(6-chloro-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5-methoxy-1H-indol-2-one
CID 5471421
3-[[2-(morpholin-4-ylmethyl)-1H-imidazol-5-yl]methylidene]-5-propan-2-yloxy-1H-indol-2-one
CID 78015917

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(2-tert-butyl-1H-imidazol-5-yl)methylidene]-5-methoxy-1H-indol-2-one?
The IUPAC name of (3Z)-3-[(2-tert-butyl-1H-imidazol-5-yl)methylidene]-5-methoxy-1H-indol-2-one (CID 71155147) is (3Z)-3-[(2-tert-butyl-1H-imidazol-5-yl)methylidene]-5-methoxy-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[(2-tert-butyl-1H-imidazol-5-yl)methylidene]-5-methoxy-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[(2-tert-butyl-1H-imidazol-5-yl)methylidene]-5-methoxy-1H-indol-2-one is COc1ccc2c(c1)/C(=C/c1cnc(C(C)(C)C)[nH]1)C(=O)N2.
What is the InChIKey of (3Z)-3-[(2-tert-butyl-1H-imidazol-5-yl)methylidene]-5-methoxy-1H-indol-2-one?
The InChIKey is YJMAGODORMZBCF-QPEQYQDCSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-17(2,3)16-18-9-10(19-16)7-13-12-8-11(22-4)5-6-14(12)20-15(13)21/h5-9H,1-4H3,(H,18,19)(H,20,21)/b13-7-.
What are the key properties of (3Z)-3-[(2-tert-butyl-1H-imidazol-5-yl)methylidene]-5-methoxy-1H-indol-2-one?
(3Z)-3-[(2-tert-butyl-1H-imidazol-5-yl)methylidene]-5-methoxy-1H-indol-2-one has a molecular weight of 297.36 g/mol, XLogP of 3.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(2-tert-butyl-1H-imidazol-5-yl)methylidene]-5-methoxy-1H-indol-2-one is sourced from PubChem (CID 71155147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).