4-bromo-N-[(E)-[1-(naphthalen-2-ylmethyl)indol-3-yl]methylideneamino]aniline

C26H20BrN3 — CID 126209271

IUPAC4-bromo-N-[(E)-[1-(naphthalen-2-ylmethyl)indol-3-yl]methylideneamino]aniline
SMILESBrc1ccc(N/N=C/c2cn(Cc3ccc4ccccc4c3)c3ccccc23)cc1
InChIInChI=1S/C26H20BrN3/c27-23-11-13-24(14-12-23)29-28-16-22-18-30(26-8-4-3-7-25(22)26)17-19-9-10-20-5-1-2-6-21(20)15-19/h1-16,18,29H,17H2/b28-16+
InChIKeyUKCLPTYXRKATFY-LQKURTRISA-N
MW454.37 g/mol
LogP7.05
Rot. Bonds5

About 4-bromo-N-[(E)-[1-(naphthalen-2-ylmethyl)indol-3-yl]methylideneamino]aniline

4-bromo-N-[(E)-[1-(naphthalen-2-ylmethyl)indol-3-yl]methylideneamino]aniline (PubChem CID 126209271) has the molecular formula C26H20BrN3 and a molecular weight of 454.37 g/mol. Its IUPAC name is 4-bromo-N-[(E)-[1-(naphthalen-2-ylmethyl)indol-3-yl]methylideneamino]aniline.

Molecular Properties

Compound Name4-bromo-N-[(E)-[1-(naphthalen-2-ylmethyl)indol-3-yl]methylideneamino]aniline
PubChem CID126209271
Molecular FormulaC26H20BrN3
Molecular Weight454.37 g/mol
Exact Mass453.08
IUPAC Name4-bromo-N-[(E)-[1-(naphthalen-2-ylmethyl)indol-3-yl]methylideneamino]aniline
SMILESBrc1ccc(N/N=C/c2cn(Cc3ccc4ccccc4c3)c3ccccc23)cc1
InChIInChI=1S/C26H20BrN3/c27-23-11-13-24(14-12-23)29-28-16-22-18-30(26-8-4-3-7-25(22)26)17-19-9-10-20-5-1-2-6-21(20)15-19/h1-16,18,29H,17H2/b28-16+
InChIKeyUKCLPTYXRKATFY-LQKURTRISA-N
XLogP7.05
TPSA29.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.37
LogP ≤ 57.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_thiophene_A(11)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-bromo-N-[(E)-[1-(naphthalen-2-ylmethyl)indol-3-yl]methylideneamino]aniline 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

N-[(E)-[1-(naphthalen-2-ylmethyl)indol-3-yl]methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
CID 126213113
N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]pyridin-4-amine
CID 21208933
N-[(E)-[1-(naphthalen-2-ylmethyl)indol-3-yl]methylideneamino]-2,4-dinitroaniline
CID 126218763
2-(4-bromophenyl)-N-[(Z)-[1-[(4-bromophenyl)methyl]indol-3-yl]methylideneamino]acetamide
CID 98050723
N-[(E)-[1-(naphthalen-2-ylmethyl)indol-3-yl]methylideneamino]-3-nitrobenzamide
CID 126222273
4-(methoxymethyl)-6-methyl-2-[(2E)-2-[[1-(naphthalen-2-ylmethyl)indol-3-yl]methylidene]hydrazinyl]pyridine-3-carbonitrile
CID 126222068
N-[(1-benzylindol-3-yl)methylideneamino]-5-(4-bromophenyl)furan-2-carboxamide
CID 3252604
2-[3-[(Z)-(phenylhydrazinylidene)methyl]indol-1-yl]acetonitrile
CID 126381062
methyl 5-[[3-[(Z)-(phenylhydrazinylidene)methyl]indol-1-yl]methyl]furan-2-carboxylate
CID 126396680
5-bromo-7-iodo-N-[(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]-1-benzofuran-2-carboxamide
CID 126022240
N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylidene]hydroxylamine
CID 3972019
1,3-diethyl-5-[[1-(naphthalen-2-ylmethyl)indol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 126208940

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(E)-[1-(naphthalen-2-ylmethyl)indol-3-yl]methylideneamino]aniline?
The IUPAC name of 4-bromo-N-[(E)-[1-(naphthalen-2-ylmethyl)indol-3-yl]methylideneamino]aniline (CID 126209271) is 4-bromo-N-[(E)-[1-(naphthalen-2-ylmethyl)indol-3-yl]methylideneamino]aniline.
What is the SMILES notation for 4-bromo-N-[(E)-[1-(naphthalen-2-ylmethyl)indol-3-yl]methylideneamino]aniline?
The canonical SMILES for 4-bromo-N-[(E)-[1-(naphthalen-2-ylmethyl)indol-3-yl]methylideneamino]aniline is Brc1ccc(N/N=C/c2cn(Cc3ccc4ccccc4c3)c3ccccc23)cc1.
What is the InChIKey of 4-bromo-N-[(E)-[1-(naphthalen-2-ylmethyl)indol-3-yl]methylideneamino]aniline?
The InChIKey is UKCLPTYXRKATFY-LQKURTRISA-N. The full InChI is InChI=1S/C26H20BrN3/c27-23-11-13-24(14-12-23)29-28-16-22-18-30(26-8-4-3-7-25(22)26)17-19-9-10-20-5-1-2-6-21(20)15-19/h1-16,18,29H,17H2/b28-16+.
What are the key properties of 4-bromo-N-[(E)-[1-(naphthalen-2-ylmethyl)indol-3-yl]methylideneamino]aniline?
4-bromo-N-[(E)-[1-(naphthalen-2-ylmethyl)indol-3-yl]methylideneamino]aniline has a molecular weight of 454.37 g/mol, XLogP of 7.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(E)-[1-(naphthalen-2-ylmethyl)indol-3-yl]methylideneamino]aniline is sourced from PubChem (CID 126209271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).