3-(1H-imidazol-5-ylmethylidene)-5-methoxy-1H-indol-2-one

C13H11N3O2 — CID 24906268

IUPAC3-(1H-imidazol-5-ylmethylidene)-5-methoxy-1H-indol-2-one
SMILESCOc1ccc2c(c1)C(=Cc1cnc[nH]1)C(=O)N2
InChIInChI=1S/C13H11N3O2/c1-18-9-2-3-12-10(5-9)11(13(17)16-12)4-8-6-14-7-15-8/h2-7H,1H3,(H,14,15)(H,16,17)
InChIKeyQNUKRWAIZMBVCU-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.91
Rot. Bonds2

About 3-(1H-imidazol-5-ylmethylidene)-5-methoxy-1H-indol-2-one

3-(1H-imidazol-5-ylmethylidene)-5-methoxy-1H-indol-2-one (PubChem CID 24906268) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 3-(1H-imidazol-5-ylmethylidene)-5-methoxy-1H-indol-2-one.

Molecular Properties

Compound Name3-(1H-imidazol-5-ylmethylidene)-5-methoxy-1H-indol-2-one
PubChem CID24906268
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name3-(1H-imidazol-5-ylmethylidene)-5-methoxy-1H-indol-2-one
SMILESCOc1ccc2c(c1)C(=Cc1cnc[nH]1)C(=O)N2
InChIInChI=1S/C13H11N3O2/c1-18-9-2-3-12-10(5-9)11(13(17)16-12)4-8-6-14-7-15-8/h2-7H,1H3,(H,14,15)(H,16,17)
InChIKeyQNUKRWAIZMBVCU-UHFFFAOYSA-N
XLogP1.91
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(1H-imidazol-5-ylmethylidene)-5-methoxy-1H-indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-5-ylmethylidene)-5-methoxy-1H-indol-2-one?
The IUPAC name of 3-(1H-imidazol-5-ylmethylidene)-5-methoxy-1H-indol-2-one (CID 24906268) is 3-(1H-imidazol-5-ylmethylidene)-5-methoxy-1H-indol-2-one.
What is the SMILES notation for 3-(1H-imidazol-5-ylmethylidene)-5-methoxy-1H-indol-2-one?
The canonical SMILES for 3-(1H-imidazol-5-ylmethylidene)-5-methoxy-1H-indol-2-one is COc1ccc2c(c1)C(=Cc1cnc[nH]1)C(=O)N2.
What is the InChIKey of 3-(1H-imidazol-5-ylmethylidene)-5-methoxy-1H-indol-2-one?
The InChIKey is QNUKRWAIZMBVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c1-18-9-2-3-12-10(5-9)11(13(17)16-12)4-8-6-14-7-15-8/h2-7H,1H3,(H,14,15)(H,16,17).
What are the key properties of 3-(1H-imidazol-5-ylmethylidene)-5-methoxy-1H-indol-2-one?
3-(1H-imidazol-5-ylmethylidene)-5-methoxy-1H-indol-2-one has a molecular weight of 241.25 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-5-ylmethylidene)-5-methoxy-1H-indol-2-one is sourced from PubChem (CID 24906268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).