5-bromo-3-(2-bromophenyl)imino-1-[(dibutylamino)methyl]indol-2-one

C23H27Br2N3O — CID 171977048

IUPAC5-bromo-3-(2-bromophenyl)imino-1-[(dibutylamino)methyl]indol-2-one
SMILESCCCCN(CCCC)CN1C(=O)/C(=N\c2ccccc2Br)c2cc(Br)ccc21
InChIInChI=1S/C23H27Br2N3O/c1-3-5-13-27(14-6-4-2)16-28-21-12-11-17(24)15-18(21)22(23(28)29)26-20-10-8-7-9-19(20)25/h7-12,15H,3-6,13-14,16H2,1-2H3/b26-22-
InChIKeyLCQJJESOPUZJOQ-ROMGYVFFSA-N
MW521.30 g/mol
LogP6.54
Rot. Bonds9

About 5-bromo-3-(2-bromophenyl)imino-1-[(dibutylamino)methyl]indol-2-one

5-bromo-3-(2-bromophenyl)imino-1-[(dibutylamino)methyl]indol-2-one (PubChem CID 171977048) has the molecular formula C23H27Br2N3O and a molecular weight of 521.30 g/mol. Its IUPAC name is 5-bromo-3-(2-bromophenyl)imino-1-[(dibutylamino)methyl]indol-2-one.

Molecular Properties

Compound Name5-bromo-3-(2-bromophenyl)imino-1-[(dibutylamino)methyl]indol-2-one
PubChem CID171977048
Molecular FormulaC23H27Br2N3O
Molecular Weight521.30 g/mol
Exact Mass519.05
IUPAC Name5-bromo-3-(2-bromophenyl)imino-1-[(dibutylamino)methyl]indol-2-one
SMILESCCCCN(CCCC)CN1C(=O)/C(=N\c2ccccc2Br)c2cc(Br)ccc21
InChIInChI=1S/C23H27Br2N3O/c1-3-5-13-27(14-6-4-2)16-28-21-12-11-17(24)15-18(21)22(23(28)29)26-20-10-8-7-9-19(20)25/h7-12,15H,3-6,13-14,16H2,1-2H3/b26-22-
InChIKeyLCQJJESOPUZJOQ-ROMGYVFFSA-N
XLogP6.54
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.30
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(2-bromophenyl)imino-1-[(dibutylamino)methyl]indol-2-one?
The IUPAC name of 5-bromo-3-(2-bromophenyl)imino-1-[(dibutylamino)methyl]indol-2-one (CID 171977048) is 5-bromo-3-(2-bromophenyl)imino-1-[(dibutylamino)methyl]indol-2-one.
What is the SMILES notation for 5-bromo-3-(2-bromophenyl)imino-1-[(dibutylamino)methyl]indol-2-one?
The canonical SMILES for 5-bromo-3-(2-bromophenyl)imino-1-[(dibutylamino)methyl]indol-2-one is CCCCN(CCCC)CN1C(=O)/C(=N\c2ccccc2Br)c2cc(Br)ccc21.
What is the InChIKey of 5-bromo-3-(2-bromophenyl)imino-1-[(dibutylamino)methyl]indol-2-one?
The InChIKey is LCQJJESOPUZJOQ-ROMGYVFFSA-N. The full InChI is InChI=1S/C23H27Br2N3O/c1-3-5-13-27(14-6-4-2)16-28-21-12-11-17(24)15-18(21)22(23(28)29)26-20-10-8-7-9-19(20)25/h7-12,15H,3-6,13-14,16H2,1-2H3/b26-22-.
What are the key properties of 5-bromo-3-(2-bromophenyl)imino-1-[(dibutylamino)methyl]indol-2-one?
5-bromo-3-(2-bromophenyl)imino-1-[(dibutylamino)methyl]indol-2-one has a molecular weight of 521.30 g/mol, XLogP of 6.54, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(2-bromophenyl)imino-1-[(dibutylamino)methyl]indol-2-one is sourced from PubChem (CID 171977048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).