1-(4-chlorophenyl)-N-[[2-[(4-chlorophenyl)methylideneamino]phenyl]methyl]methanimine

C21H16Cl2N2 — CID 56655246

IUPAC1-(4-chlorophenyl)-N-[[2-[(4-chlorophenyl)methylideneamino]phenyl]methyl]methanimine
SMILESClc1ccc(/C=N/Cc2ccccc2/N=C/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H16Cl2N2/c22-19-9-5-16(6-10-19)13-24-15-18-3-1-2-4-21(18)25-14-17-7-11-20(23)12-8-17/h1-14H,15H2/b24-13+,25-14+
InChIKeyWNVSHOQVWAKDCK-GUJRAXHGSA-N
MW367.28 g/mol
LogP6.36
Rot. Bonds5

About 1-(4-chlorophenyl)-N-[[2-[(4-chlorophenyl)methylideneamino]phenyl]methyl]methanimine

1-(4-chlorophenyl)-N-[[2-[(4-chlorophenyl)methylideneamino]phenyl]methyl]methanimine (PubChem CID 56655246) has the molecular formula C21H16Cl2N2 and a molecular weight of 367.28 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[[2-[(4-chlorophenyl)methylideneamino]phenyl]methyl]methanimine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[[2-[(4-chlorophenyl)methylideneamino]phenyl]methyl]methanimine
PubChem CID56655246
Molecular FormulaC21H16Cl2N2
Molecular Weight367.28 g/mol
Exact Mass366.07
IUPAC Name1-(4-chlorophenyl)-N-[[2-[(4-chlorophenyl)methylideneamino]phenyl]methyl]methanimine
SMILESClc1ccc(/C=N/Cc2ccccc2/N=C/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H16Cl2N2/c22-19-9-5-16(6-10-19)13-24-15-18-3-1-2-4-21(18)25-14-17-7-11-20(23)12-8-17/h1-14H,15H2/b24-13+,25-14+
InChIKeyWNVSHOQVWAKDCK-GUJRAXHGSA-N
XLogP6.36
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.28
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[[2-[(4-chlorophenyl)methylideneamino]phenyl]methyl]methanimine?
The IUPAC name of 1-(4-chlorophenyl)-N-[[2-[(4-chlorophenyl)methylideneamino]phenyl]methyl]methanimine (CID 56655246) is 1-(4-chlorophenyl)-N-[[2-[(4-chlorophenyl)methylideneamino]phenyl]methyl]methanimine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[[2-[(4-chlorophenyl)methylideneamino]phenyl]methyl]methanimine?
The canonical SMILES for 1-(4-chlorophenyl)-N-[[2-[(4-chlorophenyl)methylideneamino]phenyl]methyl]methanimine is Clc1ccc(/C=N/Cc2ccccc2/N=C/c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[[2-[(4-chlorophenyl)methylideneamino]phenyl]methyl]methanimine?
The InChIKey is WNVSHOQVWAKDCK-GUJRAXHGSA-N. The full InChI is InChI=1S/C21H16Cl2N2/c22-19-9-5-16(6-10-19)13-24-15-18-3-1-2-4-21(18)25-14-17-7-11-20(23)12-8-17/h1-14H,15H2/b24-13+,25-14+.
What are the key properties of 1-(4-chlorophenyl)-N-[[2-[(4-chlorophenyl)methylideneamino]phenyl]methyl]methanimine?
1-(4-chlorophenyl)-N-[[2-[(4-chlorophenyl)methylideneamino]phenyl]methyl]methanimine has a molecular weight of 367.28 g/mol, XLogP of 6.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[[2-[(4-chlorophenyl)methylideneamino]phenyl]methyl]methanimine is sourced from PubChem (CID 56655246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).