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

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Related Compounds

(3S)-5-bromo-3-[(2-fluorophenyl)methyl]-1,3-dihydroindol-2-one
CID 7379394
5-bromo-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methyl]-1,3-dihydroindol-2-one
CID 174456109
5-bromo-3-[(4-ethoxy-3-methoxyphenyl)methyl]-1,3-dihydroindol-2-one
CID 43912764
5-bromo-3-nonyl-1,3-dihydroindol-2-one
CID 106987050
(3S)-5-bromo-3-hydroxy-1,3-dihydroindol-2-one
CID 714172
5-bromo-3-[(5-bromo-3-ethoxy-2-hydroxyphenyl)methyl]-1,3-dihydroindol-2-one
CID 43912281
(3S)-5-bromo-3-[(2-butoxyphenyl)methyl]-1,3-dihydroindol-2-one
CID 40784158
2-[[(3R)-5-bromo-2-oxo-1,3-dihydroindol-3-yl]methyl]-3-phenylquinazolin-4-one
CID 1127147
(3S)-N,3-dimethyl-2-oxo-N-(thiophen-3-ylmethyl)-1,3-dihydroindole-5-sulfonamide
CID 9190933
5-bromo-3-(thiophen-2-ylmethylamino)-1,3-dihydroindol-2-one
CID 43204711
5-bromo-3-[(4-methylphenyl)methylamino]-1,3-dihydroindol-2-one
CID 43196080
(3R)-3-[[4-(dimethylamino)phenyl]methyl]-5-methyl-1,3-dihydroindol-2-one
CID 26367502

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).