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

C16H13BrN2O — CID 135420156

IUPAC5-bromo-3-(2,3-dimethylphenyl)imino-1H-indol-2-one
SMILESCc1cccc(/N=C2\C(=O)Nc3ccc(Br)cc32)c1C
InChIInChI=1S/C16H13BrN2O/c1-9-4-3-5-13(10(9)2)18-15-12-8-11(17)6-7-14(12)19-16(15)20/h3-8H,1-2H3,(H,18,19,20)
InChIKeyKMEMICFMYKZYIV-UHFFFAOYSA-N
MW329.20 g/mol
LogP4.14
Rot. Bonds1

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

5-bromo-3-(2,3-dimethylphenyl)imino-1H-indol-2-one (PubChem CID 135420156) has the molecular formula C16H13BrN2O and a molecular weight of 329.20 g/mol. Its IUPAC name is 5-bromo-3-(2,3-dimethylphenyl)imino-1H-indol-2-one.

Molecular Properties

Compound Name5-bromo-3-(2,3-dimethylphenyl)imino-1H-indol-2-one
PubChem CID135420156
Molecular FormulaC16H13BrN2O
Molecular Weight329.20 g/mol
Exact Mass328.02
IUPAC Name5-bromo-3-(2,3-dimethylphenyl)imino-1H-indol-2-one
SMILESCc1cccc(/N=C2\C(=O)Nc3ccc(Br)cc32)c1C
InChIInChI=1S/C16H13BrN2O/c1-9-4-3-5-13(10(9)2)18-15-12-8-11(17)6-7-14(12)19-16(15)20/h3-8H,1-2H3,(H,18,19,20)
InChIKeyKMEMICFMYKZYIV-UHFFFAOYSA-N
XLogP4.14
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-3-(4-bromo-3-chloro-2-methylphenyl)imino-1H-indol-2-one
CID 135559340
5-bromo-3-(2-methoxyphenyl)imino-1H-indol-2-one
CID 135458707
3-(3-chloro-2-methylphenyl)imino-5-methyl-1H-indol-2-one
CID 135559374
3-(4-bromo-2-methylphenyl)imino-7-methyl-1H-indol-2-one
CID 135559452
5-bromo-3-isoquinolin-4-ylimino-1H-indol-2-one
CID 166085831
5-bromo-3-(4-fluorophenyl)imino-1H-indol-2-one
CID 135559321
5-bromo-3-(5-chloro-2-hydroxyphenyl)imino-1H-indol-2-one
CID 135467452
5-bromo-3-(4-methoxyphenyl)imino-1H-indol-2-one
CID 135400370
5-bromo-3-(4-methylpiperazin-1-yl)imino-1H-indol-2-one
CID 135412424
5-bromo-3-(4-ethoxyphenyl)imino-1H-indol-2-one
CID 135460924
(E)-3-[3-[(5-bromo-2-oxo-1H-indol-3-ylidene)amino]phenyl]prop-2-enoic acid
CID 135536367
3-[2-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]imino-1H-indol-2-one
CID 135406079

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(2,3-dimethylphenyl)imino-1H-indol-2-one?
The IUPAC name of 5-bromo-3-(2,3-dimethylphenyl)imino-1H-indol-2-one (CID 135420156) is 5-bromo-3-(2,3-dimethylphenyl)imino-1H-indol-2-one.
What is the SMILES notation for 5-bromo-3-(2,3-dimethylphenyl)imino-1H-indol-2-one?
The canonical SMILES for 5-bromo-3-(2,3-dimethylphenyl)imino-1H-indol-2-one is Cc1cccc(/N=C2\C(=O)Nc3ccc(Br)cc32)c1C.
What is the InChIKey of 5-bromo-3-(2,3-dimethylphenyl)imino-1H-indol-2-one?
The InChIKey is KMEMICFMYKZYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O/c1-9-4-3-5-13(10(9)2)18-15-12-8-11(17)6-7-14(12)19-16(15)20/h3-8H,1-2H3,(H,18,19,20).
What are the key properties of 5-bromo-3-(2,3-dimethylphenyl)imino-1H-indol-2-one?
5-bromo-3-(2,3-dimethylphenyl)imino-1H-indol-2-one has a molecular weight of 329.20 g/mol, XLogP of 4.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(2,3-dimethylphenyl)imino-1H-indol-2-one is sourced from PubChem (CID 135420156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).