5-bromo-3-(2-methoxyphenyl)imino-1H-indol-2-one

C15H11BrN2O2 — CID 135458707

IUPAC5-bromo-3-(2-methoxyphenyl)imino-1H-indol-2-one
SMILESCOc1ccccc1/N=C1\C(=O)Nc2ccc(Br)cc21
InChIInChI=1S/C15H11BrN2O2/c1-20-13-5-3-2-4-12(13)17-14-10-8-9(16)6-7-11(10)18-15(14)19/h2-8H,1H3,(H,17,18,19)
InChIKeyLQGHKMCRTYZTJQ-UHFFFAOYSA-N
MW331.17 g/mol
LogP3.53
Rot. Bonds2

About 5-bromo-3-(2-methoxyphenyl)imino-1H-indol-2-one

5-bromo-3-(2-methoxyphenyl)imino-1H-indol-2-one (PubChem CID 135458707) has the molecular formula C15H11BrN2O2 and a molecular weight of 331.17 g/mol. Its IUPAC name is 5-bromo-3-(2-methoxyphenyl)imino-1H-indol-2-one.

Molecular Properties

Compound Name5-bromo-3-(2-methoxyphenyl)imino-1H-indol-2-one
PubChem CID135458707
Molecular FormulaC15H11BrN2O2
Molecular Weight331.17 g/mol
Exact Mass330.00
IUPAC Name5-bromo-3-(2-methoxyphenyl)imino-1H-indol-2-one
SMILESCOc1ccccc1/N=C1\C(=O)Nc2ccc(Br)cc21
InChIInChI=1S/C15H11BrN2O2/c1-20-13-5-3-2-4-12(13)17-14-10-8-9(16)6-7-11(10)18-15(14)19/h2-8H,1H3,(H,17,18,19)
InChIKeyLQGHKMCRTYZTJQ-UHFFFAOYSA-N
XLogP3.53
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 5-bromo-3-(2-methoxyphenyl)imino-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 5-bromo-3-(2-methoxyphenyl)imino-1H-indol-2-one?
The IUPAC name of 5-bromo-3-(2-methoxyphenyl)imino-1H-indol-2-one (CID 135458707) is 5-bromo-3-(2-methoxyphenyl)imino-1H-indol-2-one.
What is the SMILES notation for 5-bromo-3-(2-methoxyphenyl)imino-1H-indol-2-one?
The canonical SMILES for 5-bromo-3-(2-methoxyphenyl)imino-1H-indol-2-one is COc1ccccc1/N=C1\C(=O)Nc2ccc(Br)cc21.
What is the InChIKey of 5-bromo-3-(2-methoxyphenyl)imino-1H-indol-2-one?
The InChIKey is LQGHKMCRTYZTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O2/c1-20-13-5-3-2-4-12(13)17-14-10-8-9(16)6-7-11(10)18-15(14)19/h2-8H,1H3,(H,17,18,19).
What are the key properties of 5-bromo-3-(2-methoxyphenyl)imino-1H-indol-2-one?
5-bromo-3-(2-methoxyphenyl)imino-1H-indol-2-one has a molecular weight of 331.17 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(2-methoxyphenyl)imino-1H-indol-2-one is sourced from PubChem (CID 135458707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).