5-bromo-3-(2,5-dimethoxyphenyl)imino-7-methyl-1H-indol-2-one

C17H15BrN2O3 — CID 135559720

IUPAC5-bromo-3-(2,5-dimethoxyphenyl)imino-7-methyl-1H-indol-2-one
SMILESCOc1ccc(OC)c(/N=C2\C(=O)Nc3c(C)cc(Br)cc32)c1
InChIInChI=1S/C17H15BrN2O3/c1-9-6-10(18)7-12-15(9)20-17(21)16(12)19-13-8-11(22-2)4-5-14(13)23-3/h4-8H,1-3H3,(H,19,20,21)
InChIKeyIKHRELOXKCVACF-UHFFFAOYSA-N
MW375.22 g/mol
LogP3.85
Rot. Bonds3

About 5-bromo-3-(2,5-dimethoxyphenyl)imino-7-methyl-1H-indol-2-one

5-bromo-3-(2,5-dimethoxyphenyl)imino-7-methyl-1H-indol-2-one (PubChem CID 135559720) has the molecular formula C17H15BrN2O3 and a molecular weight of 375.22 g/mol. Its IUPAC name is 5-bromo-3-(2,5-dimethoxyphenyl)imino-7-methyl-1H-indol-2-one.

Molecular Properties

Compound Name5-bromo-3-(2,5-dimethoxyphenyl)imino-7-methyl-1H-indol-2-one
PubChem CID135559720
Molecular FormulaC17H15BrN2O3
Molecular Weight375.22 g/mol
Exact Mass374.03
IUPAC Name5-bromo-3-(2,5-dimethoxyphenyl)imino-7-methyl-1H-indol-2-one
SMILESCOc1ccc(OC)c(/N=C2\C(=O)Nc3c(C)cc(Br)cc32)c1
InChIInChI=1S/C17H15BrN2O3/c1-9-6-10(18)7-12-15(9)20-17(21)16(12)19-13-8-11(22-2)4-5-14(13)23-3/h4-8H,1-3H3,(H,19,20,21)
InChIKeyIKHRELOXKCVACF-UHFFFAOYSA-N
XLogP3.85
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.22
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-6-chloro-3-(2,5-dimethoxyphenyl)imino-7-methyl-1H-indol-2-one
CID 135559793
5-bromo-3-(4-ethoxyphenyl)imino-7-methyl-1H-indol-2-one
CID 135559696
5-bromo-6-chloro-3-(2,4-dimethoxyphenyl)imino-7-methyl-1H-indol-2-one
CID 135559792
5-bromo-3-[4-(4-tert-butylphenoxy)phenyl]imino-7-methyl-1H-indol-2-one
CID 135559714
5-bromo-7-methyl-3-(4-naphthalen-1-yloxyphenyl)imino-1H-indol-2-one
CID 135559686
6-chloro-3-(2,4-dimethoxyphenyl)imino-7-methyl-1H-indol-2-one
CID 135559647
5-bromo-3-(2-methoxyphenyl)imino-1H-indol-2-one
CID 135458707
5-bromo-3-(3-chlorophenyl)imino-7-methyl-1H-indol-2-one
CID 135559702
5-bromo-7-methyl-3-(4-nitrophenyl)imino-1H-indol-2-one
CID 135559733
3-(4-methoxyphenyl)imino-7-methyl-1H-indol-2-one
CID 135449508
3-(4-bromo-2-methylphenyl)imino-7-methyl-1H-indol-2-one
CID 135559452
5-bromo-3-(4-methoxyphenyl)imino-1H-indol-2-one
CID 135400370

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(2,5-dimethoxyphenyl)imino-7-methyl-1H-indol-2-one?
The IUPAC name of 5-bromo-3-(2,5-dimethoxyphenyl)imino-7-methyl-1H-indol-2-one (CID 135559720) is 5-bromo-3-(2,5-dimethoxyphenyl)imino-7-methyl-1H-indol-2-one.
What is the SMILES notation for 5-bromo-3-(2,5-dimethoxyphenyl)imino-7-methyl-1H-indol-2-one?
The canonical SMILES for 5-bromo-3-(2,5-dimethoxyphenyl)imino-7-methyl-1H-indol-2-one is COc1ccc(OC)c(/N=C2\C(=O)Nc3c(C)cc(Br)cc32)c1.
What is the InChIKey of 5-bromo-3-(2,5-dimethoxyphenyl)imino-7-methyl-1H-indol-2-one?
The InChIKey is IKHRELOXKCVACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O3/c1-9-6-10(18)7-12-15(9)20-17(21)16(12)19-13-8-11(22-2)4-5-14(13)23-3/h4-8H,1-3H3,(H,19,20,21).
What are the key properties of 5-bromo-3-(2,5-dimethoxyphenyl)imino-7-methyl-1H-indol-2-one?
5-bromo-3-(2,5-dimethoxyphenyl)imino-7-methyl-1H-indol-2-one has a molecular weight of 375.22 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(2,5-dimethoxyphenyl)imino-7-methyl-1H-indol-2-one is sourced from PubChem (CID 135559720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).