2-[[3-[(Z)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]-2-methylindol-1-yl]methyl]benzonitrile

C26H24N4O — CID 29148524

IUPAC2-[[3-[(Z)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]-2-methylindol-1-yl]methyl]benzonitrile
SMILESCOc1ccccc1CN/N=C\c1c(C)n(Cc2ccccc2C#N)c2ccccc12
InChIInChI=1S/C26H24N4O/c1-19-24(17-29-28-16-21-10-5-8-14-26(21)31-2)23-12-6-7-13-25(23)30(19)18-22-11-4-3-9-20(22)15-27/h3-14,17,28H,16,18H2,1-2H3/b29-17-
InChIKeyKOYFWWGMDTUCSZ-RHANQZHGSA-N
MW408.51 g/mol
LogP5.00
Rot. Bonds7

About 2-[[3-[(Z)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]-2-methylindol-1-yl]methyl]benzonitrile

2-[[3-[(Z)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]-2-methylindol-1-yl]methyl]benzonitrile (PubChem CID 29148524) has the molecular formula C26H24N4O and a molecular weight of 408.51 g/mol. Its IUPAC name is 2-[[3-[(Z)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]-2-methylindol-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name2-[[3-[(Z)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]-2-methylindol-1-yl]methyl]benzonitrile
PubChem CID29148524
Molecular FormulaC26H24N4O
Molecular Weight408.51 g/mol
Exact Mass408.20
IUPAC Name2-[[3-[(Z)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]-2-methylindol-1-yl]methyl]benzonitrile
SMILESCOc1ccccc1CN/N=C\c1c(C)n(Cc2ccccc2C#N)c2ccccc12
InChIInChI=1S/C26H24N4O/c1-19-24(17-29-28-16-21-10-5-8-14-26(21)31-2)23-12-6-7-13-25(23)30(19)18-22-11-4-3-9-20(22)15-27/h3-14,17,28H,16,18H2,1-2H3/b29-17-
InChIKeyKOYFWWGMDTUCSZ-RHANQZHGSA-N
XLogP5.00
TPSA62.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.51
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-[(Z)-[1-[(2-cyanophenyl)methyl]-2-methylindol-3-yl]methylideneamino]acetamide
CID 126025553
2-[[1-[(E)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]naphthalen-2-yl]oxymethyl]benzonitrile
CID 17246062
N-[[1-[(2-cyanophenyl)methyl]-2-methylindol-3-yl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 4007651
1-(2-methoxyphenyl)-N-[(Z)-[1-[(2-methylphenyl)methyl]indol-3-yl]methylideneamino]methanamine
CID 29147846
3-chloro-N-[1-[2-[[1-[(2-cyanophenyl)methyl]-2-methylindol-3-yl]methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 4554644
4-[[1-[(2-cyanophenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 46247673
2-[[3-[2-cyano-2-(2-fluorophenyl)ethenyl]-2-methylindol-1-yl]methyl]benzonitrile
CID 3571637
2-[[2-bromo-4-[(Z)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]phenoxy]methyl]benzonitrile
CID 29147479
N-[(Z)-(1-ethylindol-3-yl)methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 29147802
2-[[2-methyl-3-[(E)-(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]indol-1-yl]methyl]benzonitrile
CID 126203050
2-[[2-chloro-6-ethoxy-4-[(Z)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]phenoxy]methyl]benzonitrile
CID 29148372
2-amino-1-[(2-methoxyphenyl)methyl]benzimidazole-4-carbonitrile
CID 104718630

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(Z)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]-2-methylindol-1-yl]methyl]benzonitrile?
The IUPAC name of 2-[[3-[(Z)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]-2-methylindol-1-yl]methyl]benzonitrile (CID 29148524) is 2-[[3-[(Z)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]-2-methylindol-1-yl]methyl]benzonitrile.
What is the SMILES notation for 2-[[3-[(Z)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]-2-methylindol-1-yl]methyl]benzonitrile?
The canonical SMILES for 2-[[3-[(Z)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]-2-methylindol-1-yl]methyl]benzonitrile is COc1ccccc1CN/N=C\c1c(C)n(Cc2ccccc2C#N)c2ccccc12.
What is the InChIKey of 2-[[3-[(Z)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]-2-methylindol-1-yl]methyl]benzonitrile?
The InChIKey is KOYFWWGMDTUCSZ-RHANQZHGSA-N. The full InChI is InChI=1S/C26H24N4O/c1-19-24(17-29-28-16-21-10-5-8-14-26(21)31-2)23-12-6-7-13-25(23)30(19)18-22-11-4-3-9-20(22)15-27/h3-14,17,28H,16,18H2,1-2H3/b29-17-.
What are the key properties of 2-[[3-[(Z)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]-2-methylindol-1-yl]methyl]benzonitrile?
2-[[3-[(Z)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]-2-methylindol-1-yl]methyl]benzonitrile has a molecular weight of 408.51 g/mol, XLogP of 5.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(Z)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]-2-methylindol-1-yl]methyl]benzonitrile is sourced from PubChem (CID 29148524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).