5-bromo-3-(thiophen-3-ylmethyl)-1,3-dihydroindol-2-one

C13H10BrNOS — CID 23612659

IUPAC5-bromo-3-(thiophen-3-ylmethyl)-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(Br)cc2C1Cc1ccsc1
InChIInChI=1S/C13H10BrNOS/c14-9-1-2-12-10(6-9)11(13(16)15-12)5-8-3-4-17-7-8/h1-4,6-7,11H,5H2,(H,15,16)
InChIKeyLHRWAZHFLZCWMO-UHFFFAOYSA-N
MW308.20 g/mol
LogP3.79
Rot. Bonds2

About 5-bromo-3-(thiophen-3-ylmethyl)-1,3-dihydroindol-2-one

5-bromo-3-(thiophen-3-ylmethyl)-1,3-dihydroindol-2-one (PubChem CID 23612659) has the molecular formula C13H10BrNOS and a molecular weight of 308.20 g/mol. Its IUPAC name is 5-bromo-3-(thiophen-3-ylmethyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-bromo-3-(thiophen-3-ylmethyl)-1,3-dihydroindol-2-one
PubChem CID23612659
Molecular FormulaC13H10BrNOS
Molecular Weight308.20 g/mol
Exact Mass306.97
IUPAC Name5-bromo-3-(thiophen-3-ylmethyl)-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(Br)cc2C1Cc1ccsc1
InChIInChI=1S/C13H10BrNOS/c14-9-1-2-12-10(6-9)11(13(16)15-12)5-8-3-4-17-7-8/h1-4,6-7,11H,5H2,(H,15,16)
InChIKeyLHRWAZHFLZCWMO-UHFFFAOYSA-N
XLogP3.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.20
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-bromo-3-(thiophen-3-ylmethyl)-1,3-dihydroindol-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-(thiophen-3-ylmethyl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-bromo-3-(thiophen-3-ylmethyl)-1,3-dihydroindol-2-one (CID 23612659) is 5-bromo-3-(thiophen-3-ylmethyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-bromo-3-(thiophen-3-ylmethyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-bromo-3-(thiophen-3-ylmethyl)-1,3-dihydroindol-2-one is O=C1Nc2ccc(Br)cc2C1Cc1ccsc1.
What is the InChIKey of 5-bromo-3-(thiophen-3-ylmethyl)-1,3-dihydroindol-2-one?
The InChIKey is LHRWAZHFLZCWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrNOS/c14-9-1-2-12-10(6-9)11(13(16)15-12)5-8-3-4-17-7-8/h1-4,6-7,11H,5H2,(H,15,16).
What are the key properties of 5-bromo-3-(thiophen-3-ylmethyl)-1,3-dihydroindol-2-one?
5-bromo-3-(thiophen-3-ylmethyl)-1,3-dihydroindol-2-one has a molecular weight of 308.20 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(thiophen-3-ylmethyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 23612659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).