5-bromo-3-(4-bromophenyl)imino-6-chloro-7-methyl-1H-indol-2-one

C15H9Br2ClN2O — CID 135559779

IUPAC5-bromo-3-(4-bromophenyl)imino-6-chloro-7-methyl-1H-indol-2-one
SMILESCc1c(Cl)c(Br)cc2c1NC(=O)/C2=N\c1ccc(Br)cc1
InChIInChI=1S/C15H9Br2ClN2O/c1-7-12(18)11(17)6-10-13(7)20-15(21)14(10)19-9-4-2-8(16)3-5-9/h2-6H,1H3,(H,19,20,21)
InChIKeyGRGWIDPJQMRTOU-UHFFFAOYSA-N
MW428.51 g/mol
LogP5.25
Rot. Bonds1

About 5-bromo-3-(4-bromophenyl)imino-6-chloro-7-methyl-1H-indol-2-one

5-bromo-3-(4-bromophenyl)imino-6-chloro-7-methyl-1H-indol-2-one (PubChem CID 135559779) has the molecular formula C15H9Br2ClN2O and a molecular weight of 428.51 g/mol. Its IUPAC name is 5-bromo-3-(4-bromophenyl)imino-6-chloro-7-methyl-1H-indol-2-one.

Molecular Properties

Compound Name5-bromo-3-(4-bromophenyl)imino-6-chloro-7-methyl-1H-indol-2-one
PubChem CID135559779
Molecular FormulaC15H9Br2ClN2O
Molecular Weight428.51 g/mol
Exact Mass425.88
IUPAC Name5-bromo-3-(4-bromophenyl)imino-6-chloro-7-methyl-1H-indol-2-one
SMILESCc1c(Cl)c(Br)cc2c1NC(=O)/C2=N\c1ccc(Br)cc1
InChIInChI=1S/C15H9Br2ClN2O/c1-7-12(18)11(17)6-10-13(7)20-15(21)14(10)19-9-4-2-8(16)3-5-9/h2-6H,1H3,(H,19,20,21)
InChIKeyGRGWIDPJQMRTOU-UHFFFAOYSA-N
XLogP5.25
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.51
LogP ≤ 55.25
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-6-chloro-3-(3,5-dimethylphenyl)imino-7-methyl-1H-indol-2-one
CID 135559794
5-bromo-3-(4-bromo-2-methylphenyl)imino-6-chloro-7-methyl-1H-indol-2-one
CID 135559807
5-bromo-6-chloro-3-(2,5-dimethoxyphenyl)imino-7-methyl-1H-indol-2-one
CID 135559793
5-bromo-6-chloro-3-(2,4-dimethoxyphenyl)imino-7-methyl-1H-indol-2-one
CID 135559792
5-bromo-7-methyl-3-(4-nitrophenyl)imino-1H-indol-2-one
CID 135559733
5-bromo-7-ethyl-3-(4-methylphenyl)imino-1H-indol-2-one
CID 135501542
5-bromo-3-(3-chlorophenyl)imino-7-methyl-1H-indol-2-one
CID 135559702
5-bromo-3-(4-bromo-3-chloro-2-methylphenyl)imino-1H-indol-2-one
CID 135559340
5-bromo-3-(4-ethoxyphenyl)imino-7-methyl-1H-indol-2-one
CID 135559696
5-bromo-3-[4-(4-tert-butylphenoxy)phenyl]imino-7-methyl-1H-indol-2-one
CID 135559714
3-(4-bromo-2-methylphenyl)imino-7-methyl-1H-indol-2-one
CID 135559452
5-bromo-3-(4-fluorophenyl)imino-1H-indol-2-one
CID 135559321

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(4-bromophenyl)imino-6-chloro-7-methyl-1H-indol-2-one?
The IUPAC name of 5-bromo-3-(4-bromophenyl)imino-6-chloro-7-methyl-1H-indol-2-one (CID 135559779) is 5-bromo-3-(4-bromophenyl)imino-6-chloro-7-methyl-1H-indol-2-one.
What is the SMILES notation for 5-bromo-3-(4-bromophenyl)imino-6-chloro-7-methyl-1H-indol-2-one?
The canonical SMILES for 5-bromo-3-(4-bromophenyl)imino-6-chloro-7-methyl-1H-indol-2-one is Cc1c(Cl)c(Br)cc2c1NC(=O)/C2=N\c1ccc(Br)cc1.
What is the InChIKey of 5-bromo-3-(4-bromophenyl)imino-6-chloro-7-methyl-1H-indol-2-one?
The InChIKey is GRGWIDPJQMRTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Br2ClN2O/c1-7-12(18)11(17)6-10-13(7)20-15(21)14(10)19-9-4-2-8(16)3-5-9/h2-6H,1H3,(H,19,20,21).
What are the key properties of 5-bromo-3-(4-bromophenyl)imino-6-chloro-7-methyl-1H-indol-2-one?
5-bromo-3-(4-bromophenyl)imino-6-chloro-7-methyl-1H-indol-2-one has a molecular weight of 428.51 g/mol, XLogP of 5.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(4-bromophenyl)imino-6-chloro-7-methyl-1H-indol-2-one is sourced from PubChem (CID 135559779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).