1-benzyl-3-(4-bromophenyl)iminoindol-2-one

C21H15BrN2O — CID 24799240

IUPAC1-benzyl-3-(4-bromophenyl)iminoindol-2-one
SMILESO=C1/C(=N\c2ccc(Br)cc2)c2ccccc2N1Cc1ccccc1
InChIInChI=1S/C21H15BrN2O/c22-16-10-12-17(13-11-16)23-20-18-8-4-5-9-19(18)24(21(20)25)14-15-6-2-1-3-7-15/h1-13H,14H2/b23-20-
InChIKeyNZMLBBVDQOCXKN-ATJXCDBQSA-N
MW391.27 g/mol
LogP5.12
Rot. Bonds3

About 1-benzyl-3-(4-bromophenyl)iminoindol-2-one

1-benzyl-3-(4-bromophenyl)iminoindol-2-one (PubChem CID 24799240) has the molecular formula C21H15BrN2O and a molecular weight of 391.27 g/mol. Its IUPAC name is 1-benzyl-3-(4-bromophenyl)iminoindol-2-one.

Molecular Properties

Compound Name1-benzyl-3-(4-bromophenyl)iminoindol-2-one
PubChem CID24799240
Molecular FormulaC21H15BrN2O
Molecular Weight391.27 g/mol
Exact Mass390.04
IUPAC Name1-benzyl-3-(4-bromophenyl)iminoindol-2-one
SMILESO=C1/C(=N\c2ccc(Br)cc2)c2ccccc2N1Cc1ccccc1
InChIInChI=1S/C21H15BrN2O/c22-16-10-12-17(13-11-16)23-20-18-8-4-5-9-19(18)24(21(20)25)14-15-6-2-1-3-7-15/h1-13H,14H2/b23-20-
InChIKeyNZMLBBVDQOCXKN-ATJXCDBQSA-N
XLogP5.12
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.27
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-bromophenyl)imino-1-(2-methylpropyl)indol-2-one
CID 23987437
methyl 4-[(1-benzyl-2-oxoindol-3-ylidene)amino]benzoate
CID 23826464
1-[(4-benzylpiperazin-1-yl)methyl]-3-[4-[[1-[(4-benzylpiperazin-1-yl)methyl]-2-oxoindol-3-ylidene]amino]phenyl]iminoindol-2-one
CID 100817066
1-ethyl-3-phenyliminoindol-2-one
CID 23936952
1-[(4-chlorophenyl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)iminoindol-2-one
CID 23995208
1-benzyl-6-bromo-3-(2,2,2-trifluoroethylimino)indol-2-one
CID 164679570
(3Z)-1-benzyl-3-[[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]imino]indol-2-one
CID 54613312
5-bromo-3-phenylimino-1-prop-2-enylindol-2-one
CID 58482840
ethyl 1-[[3-(4-bromophenyl)imino-2-oxoindol-1-yl]methyl]piperidine-4-carboxylate
CID 17380023
3-(3-bromophenyl)imino-1-(2-methylpropyl)indol-2-one
CID 23823532
1-benzyl-3-propan-2-ylideneindol-2-one
CID 86011493
4-[(1-ethyl-2-oxoindol-3-ylidene)amino]benzamide
CID 23938505

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(4-bromophenyl)iminoindol-2-one?
The IUPAC name of 1-benzyl-3-(4-bromophenyl)iminoindol-2-one (CID 24799240) is 1-benzyl-3-(4-bromophenyl)iminoindol-2-one.
What is the SMILES notation for 1-benzyl-3-(4-bromophenyl)iminoindol-2-one?
The canonical SMILES for 1-benzyl-3-(4-bromophenyl)iminoindol-2-one is O=C1/C(=N\c2ccc(Br)cc2)c2ccccc2N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-(4-bromophenyl)iminoindol-2-one?
The InChIKey is NZMLBBVDQOCXKN-ATJXCDBQSA-N. The full InChI is InChI=1S/C21H15BrN2O/c22-16-10-12-17(13-11-16)23-20-18-8-4-5-9-19(18)24(21(20)25)14-15-6-2-1-3-7-15/h1-13H,14H2/b23-20-.
What are the key properties of 1-benzyl-3-(4-bromophenyl)iminoindol-2-one?
1-benzyl-3-(4-bromophenyl)iminoindol-2-one has a molecular weight of 391.27 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(4-bromophenyl)iminoindol-2-one is sourced from PubChem (CID 24799240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).