dibenzyl-[(2,3-dichloro-4-methoxyphenyl)methyl]-hydrazinylazanium

C22H24Cl2N3O+ — CID 57132511

IUPACdibenzyl-[(2,3-dichloro-4-methoxyphenyl)methyl]-hydrazinylazanium
SMILESCOc1ccc(C[N+](Cc2ccccc2)(Cc2ccccc2)NN)c(Cl)c1Cl
InChIInChI=1S/C22H24Cl2N3O/c1-28-20-13-12-19(21(23)22(20)24)16-27(26-25,14-17-8-4-2-5-9-17)15-18-10-6-3-7-11-18/h2-13,26H,14-16,25H2,1H3/q+1
InChIKeyJTMVWCHUENLVKG-UHFFFAOYSA-N
MW417.36 g/mol
LogP5.10
Rot. Bonds8

About dibenzyl-[(2,3-dichloro-4-methoxyphenyl)methyl]-hydrazinylazanium

dibenzyl-[(2,3-dichloro-4-methoxyphenyl)methyl]-hydrazinylazanium (PubChem CID 57132511) has the molecular formula C22H24Cl2N3O+ and a molecular weight of 417.36 g/mol. Its IUPAC name is dibenzyl-[(2,3-dichloro-4-methoxyphenyl)methyl]-hydrazinylazanium.

Molecular Properties

Compound Namedibenzyl-[(2,3-dichloro-4-methoxyphenyl)methyl]-hydrazinylazanium
PubChem CID57132511
Molecular FormulaC22H24Cl2N3O+
Molecular Weight417.36 g/mol
Exact Mass416.13
IUPAC Namedibenzyl-[(2,3-dichloro-4-methoxyphenyl)methyl]-hydrazinylazanium
SMILESCOc1ccc(C[N+](Cc2ccccc2)(Cc2ccccc2)NN)c(Cl)c1Cl
InChIInChI=1S/C22H24Cl2N3O/c1-28-20-13-12-19(21(23)22(20)24)16-27(26-25,14-17-8-4-2-5-9-17)15-18-10-6-3-7-11-18/h2-13,26H,14-16,25H2,1H3/q+1
InChIKeyJTMVWCHUENLVKG-UHFFFAOYSA-N
XLogP5.10
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.36
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze dibenzyl-[(2,3-dichloro-4-methoxyphenyl)methyl]-hydrazinylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dibenzyl-[(2,3-dichloro-4-methoxyphenyl)methyl]-hydrazinylazanium?
The IUPAC name of dibenzyl-[(2,3-dichloro-4-methoxyphenyl)methyl]-hydrazinylazanium (CID 57132511) is dibenzyl-[(2,3-dichloro-4-methoxyphenyl)methyl]-hydrazinylazanium.
What is the SMILES notation for dibenzyl-[(2,3-dichloro-4-methoxyphenyl)methyl]-hydrazinylazanium?
The canonical SMILES for dibenzyl-[(2,3-dichloro-4-methoxyphenyl)methyl]-hydrazinylazanium is COc1ccc(C[N+](Cc2ccccc2)(Cc2ccccc2)NN)c(Cl)c1Cl.
What is the InChIKey of dibenzyl-[(2,3-dichloro-4-methoxyphenyl)methyl]-hydrazinylazanium?
The InChIKey is JTMVWCHUENLVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2N3O/c1-28-20-13-12-19(21(23)22(20)24)16-27(26-25,14-17-8-4-2-5-9-17)15-18-10-6-3-7-11-18/h2-13,26H,14-16,25H2,1H3/q+1.
What are the key properties of dibenzyl-[(2,3-dichloro-4-methoxyphenyl)methyl]-hydrazinylazanium?
dibenzyl-[(2,3-dichloro-4-methoxyphenyl)methyl]-hydrazinylazanium has a molecular weight of 417.36 g/mol, XLogP of 5.10, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzyl-[(2,3-dichloro-4-methoxyphenyl)methyl]-hydrazinylazanium is sourced from PubChem (CID 57132511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).