3-[[3-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]indol-1-yl]methyl]benzonitrile

C24H18Cl2N4 — CID 19060384

IUPAC3-[[3-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]indol-1-yl]methyl]benzonitrile
SMILESN#Cc1cccc(Cn2cc(/C=N/NCc3c(Cl)cccc3Cl)c3ccccc32)c1
InChIInChI=1S/C24H18Cl2N4/c25-22-8-4-9-23(26)21(22)14-29-28-13-19-16-30(24-10-2-1-7-20(19)24)15-18-6-3-5-17(11-18)12-27/h1-11,13,16,29H,14-15H2/b28-13+
InChIKeyMZVGZONURLBRMQ-XODNFHPESA-N
MW433.34 g/mol
LogP5.99
Rot. Bonds6

About 3-[[3-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]indol-1-yl]methyl]benzonitrile

3-[[3-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]indol-1-yl]methyl]benzonitrile (PubChem CID 19060384) has the molecular formula C24H18Cl2N4 and a molecular weight of 433.34 g/mol. Its IUPAC name is 3-[[3-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]indol-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name3-[[3-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]indol-1-yl]methyl]benzonitrile
PubChem CID19060384
Molecular FormulaC24H18Cl2N4
Molecular Weight433.34 g/mol
Exact Mass432.09
IUPAC Name3-[[3-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]indol-1-yl]methyl]benzonitrile
SMILESN#Cc1cccc(Cn2cc(/C=N/NCc3c(Cl)cccc3Cl)c3ccccc32)c1
InChIInChI=1S/C24H18Cl2N4/c25-22-8-4-9-23(26)21(22)14-29-28-13-19-16-30(24-10-2-1-7-20(19)24)15-18-6-3-5-17(11-18)12-27/h1-11,13,16,29H,14-15H2/b28-13+
InChIKeyMZVGZONURLBRMQ-XODNFHPESA-N
XLogP5.99
TPSA53.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.34
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

3-[[3-[(E)-[(3,4-dimethoxyphenyl)methylhydrazinylidene]methyl]indol-1-yl]methyl]benzonitrile
CID 133169278
1-(2,6-dichlorophenyl)-N-[(E)-(1-methylindol-3-yl)methylideneamino]methanamine
CID 19060080
1-[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]-N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methylideneamino]methanimine
CID 3938272
N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-cyanoacetamide
CID 5414915
4-cyano-2-fluoro-N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]benzamide
CID 5452926
1-[(3-cyanophenyl)methyl]indole-4-carbonitrile
CID 107918998
N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]pyridin-4-amine
CID 21208933
3-bromo-1-[(3-cyanophenyl)methyl]indole-5-carbonitrile
CID 137375968
N-[(E)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 17245785
3-[[2-chloro-4-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]-6-ethoxyphenoxy]methyl]benzonitrile
CID 19060332
N-[(Z)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 29147830
4-chloro-N-[(E)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]benzamide
CID 21379735

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]indol-1-yl]methyl]benzonitrile?
The IUPAC name of 3-[[3-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]indol-1-yl]methyl]benzonitrile (CID 19060384) is 3-[[3-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]indol-1-yl]methyl]benzonitrile.
What is the SMILES notation for 3-[[3-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]indol-1-yl]methyl]benzonitrile?
The canonical SMILES for 3-[[3-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]indol-1-yl]methyl]benzonitrile is N#Cc1cccc(Cn2cc(/C=N/NCc3c(Cl)cccc3Cl)c3ccccc32)c1.
What is the InChIKey of 3-[[3-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]indol-1-yl]methyl]benzonitrile?
The InChIKey is MZVGZONURLBRMQ-XODNFHPESA-N. The full InChI is InChI=1S/C24H18Cl2N4/c25-22-8-4-9-23(26)21(22)14-29-28-13-19-16-30(24-10-2-1-7-20(19)24)15-18-6-3-5-17(11-18)12-27/h1-11,13,16,29H,14-15H2/b28-13+.
What are the key properties of 3-[[3-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]indol-1-yl]methyl]benzonitrile?
3-[[3-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]indol-1-yl]methyl]benzonitrile has a molecular weight of 433.34 g/mol, XLogP of 5.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]indol-1-yl]methyl]benzonitrile is sourced from PubChem (CID 19060384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).