5-bromo-7-ethyl-3-(4-methylphenyl)imino-1H-indol-2-one

C17H15BrN2O — CID 135501542

IUPAC5-bromo-7-ethyl-3-(4-methylphenyl)imino-1H-indol-2-one
SMILESCCc1cc(Br)cc2c1NC(=O)/C2=N\c1ccc(C)cc1
InChIInChI=1S/C17H15BrN2O/c1-3-11-8-12(18)9-14-15(11)20-17(21)16(14)19-13-6-4-10(2)5-7-13/h4-9H,3H2,1-2H3,(H,19,20,21)
InChIKeyCCZRXEBZAHPODO-UHFFFAOYSA-N
MW343.22 g/mol
LogP4.39
Rot. Bonds2

About 5-bromo-7-ethyl-3-(4-methylphenyl)imino-1H-indol-2-one

5-bromo-7-ethyl-3-(4-methylphenyl)imino-1H-indol-2-one (PubChem CID 135501542) has the molecular formula C17H15BrN2O and a molecular weight of 343.22 g/mol. Its IUPAC name is 5-bromo-7-ethyl-3-(4-methylphenyl)imino-1H-indol-2-one.

Molecular Properties

Compound Name5-bromo-7-ethyl-3-(4-methylphenyl)imino-1H-indol-2-one
PubChem CID135501542
Molecular FormulaC17H15BrN2O
Molecular Weight343.22 g/mol
Exact Mass342.04
IUPAC Name5-bromo-7-ethyl-3-(4-methylphenyl)imino-1H-indol-2-one
SMILESCCc1cc(Br)cc2c1NC(=O)/C2=N\c1ccc(C)cc1
InChIInChI=1S/C17H15BrN2O/c1-3-11-8-12(18)9-14-15(11)20-17(21)16(14)19-13-6-4-10(2)5-7-13/h4-9H,3H2,1-2H3,(H,19,20,21)
InChIKeyCCZRXEBZAHPODO-UHFFFAOYSA-N
XLogP4.39
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-bromo-7-ethyl-3-(4-methylphenyl)imino-1H-indol-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

Related Compounds

propan-2-yl 4-[(5-bromo-7-ethyl-2-oxo-1H-indol-3-ylidene)amino]benzoate
CID 135838591
5-bromo-3-(4-ethoxyphenyl)imino-7-methyl-1H-indol-2-one
CID 135559696
5-bromo-7-methyl-3-(4-nitrophenyl)imino-1H-indol-2-one
CID 135559733
5-bromo-3-[4-(4-tert-butylphenoxy)phenyl]imino-7-methyl-1H-indol-2-one
CID 135559714
5-bromo-3-(4-bromophenyl)imino-6-chloro-7-methyl-1H-indol-2-one
CID 135559779
5-bromo-3-(3-chlorophenyl)imino-7-methyl-1H-indol-2-one
CID 135559702
5-bromo-7-methyl-3-(4-naphthalen-1-yloxyphenyl)imino-1H-indol-2-one
CID 135559686
5-bromo-3-(4-ethoxyphenyl)imino-1H-indol-2-one
CID 135460924
5-methyl-3-[4-(4-methylphenoxy)phenyl]imino-1H-indol-2-one
CID 135559351
5-bromo-3-(4-fluorophenyl)imino-1H-indol-2-one
CID 135559321
propyl 4-[(5-methyl-2-oxo-1H-indol-3-ylidene)amino]benzoate
CID 135559348
butyl 4-[(5-bromo-2-oxo-1H-indol-3-ylidene)amino]benzoate
CID 135559310

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-ethyl-3-(4-methylphenyl)imino-1H-indol-2-one?
The IUPAC name of 5-bromo-7-ethyl-3-(4-methylphenyl)imino-1H-indol-2-one (CID 135501542) is 5-bromo-7-ethyl-3-(4-methylphenyl)imino-1H-indol-2-one.
What is the SMILES notation for 5-bromo-7-ethyl-3-(4-methylphenyl)imino-1H-indol-2-one?
The canonical SMILES for 5-bromo-7-ethyl-3-(4-methylphenyl)imino-1H-indol-2-one is CCc1cc(Br)cc2c1NC(=O)/C2=N\c1ccc(C)cc1.
What is the InChIKey of 5-bromo-7-ethyl-3-(4-methylphenyl)imino-1H-indol-2-one?
The InChIKey is CCZRXEBZAHPODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O/c1-3-11-8-12(18)9-14-15(11)20-17(21)16(14)19-13-6-4-10(2)5-7-13/h4-9H,3H2,1-2H3,(H,19,20,21).
What are the key properties of 5-bromo-7-ethyl-3-(4-methylphenyl)imino-1H-indol-2-one?
5-bromo-7-ethyl-3-(4-methylphenyl)imino-1H-indol-2-one has a molecular weight of 343.22 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-ethyl-3-(4-methylphenyl)imino-1H-indol-2-one is sourced from PubChem (CID 135501542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).