(E)-N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-1,1-diphenylmethanimine

C22H16BrN3 — CID 135676058

IUPAC(E)-N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-1,1-diphenylmethanimine
SMILESBrc1ccc2[nH]cc(/C=N/N=C(c3ccccc3)c3ccccc3)c2c1
InChIInChI=1S/C22H16BrN3/c23-19-11-12-21-20(13-19)18(14-24-21)15-25-26-22(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-15,24H/b25-15+
InChIKeyWDRFNCZOHNOADU-MFKUBSTISA-N
MW402.30 g/mol
LogP5.80
Rot. Bonds4

About (E)-N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-1,1-diphenylmethanimine

(E)-N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-1,1-diphenylmethanimine (PubChem CID 135676058) has the molecular formula C22H16BrN3 and a molecular weight of 402.30 g/mol. Its IUPAC name is (E)-N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-1,1-diphenylmethanimine.

Molecular Properties

Compound Name(E)-N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-1,1-diphenylmethanimine
PubChem CID135676058
Molecular FormulaC22H16BrN3
Molecular Weight402.30 g/mol
Exact Mass401.05
IUPAC Name(E)-N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-1,1-diphenylmethanimine
SMILESBrc1ccc2[nH]cc(/C=N/N=C(c3ccccc3)c3ccccc3)c2c1
InChIInChI=1S/C22H16BrN3/c23-19-11-12-21-20(13-19)18(14-24-21)15-25-26-22(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-15,24H/b25-15+
InChIKeyWDRFNCZOHNOADU-MFKUBSTISA-N
XLogP5.80
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.30
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]guanidine
CID 135460270
N-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-chlorobenzamide
CID 136773544
2-[(E)-(benzhydrylidenehydrazinylidene)methyl]-4,6-dibromophenol
CID 135675783
N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]pyridine-3-carboxamide
CID 135755129
(2Z)-2-[(E)-1H-indol-3-ylmethylidenehydrazinylidene]-1,2-diphenylethanone
CID 135583243
N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-N'-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]pentanediamide
CID 135509604
N-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-phenylmethoxybenzamide
CID 136865247
N-[(5-bromo-1H-indol-3-yl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 5074421
1-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]imidazolidine-2,4-dione
CID 135788219
5,7-dibromo-N-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]-1-benzofuran-2-carboxamide
CID 135563380
N-[(5-bromo-1H-indol-3-yl)methylideneamino]-4-(2,5-dimethylpyrrol-1-yl)benzamide
CID 4152229
5-bromo-N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]pyridin-2-amine
CID 172990751

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-1,1-diphenylmethanimine?
The IUPAC name of (E)-N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-1,1-diphenylmethanimine (CID 135676058) is (E)-N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-1,1-diphenylmethanimine.
What is the SMILES notation for (E)-N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-1,1-diphenylmethanimine?
The canonical SMILES for (E)-N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-1,1-diphenylmethanimine is Brc1ccc2[nH]cc(/C=N/N=C(c3ccccc3)c3ccccc3)c2c1.
What is the InChIKey of (E)-N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-1,1-diphenylmethanimine?
The InChIKey is WDRFNCZOHNOADU-MFKUBSTISA-N. The full InChI is InChI=1S/C22H16BrN3/c23-19-11-12-21-20(13-19)18(14-24-21)15-25-26-22(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-15,24H/b25-15+.
What are the key properties of (E)-N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-1,1-diphenylmethanimine?
(E)-N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-1,1-diphenylmethanimine has a molecular weight of 402.30 g/mol, XLogP of 5.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-1,1-diphenylmethanimine is sourced from PubChem (CID 135676058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).