1-(2,4-dichlorophenyl)-N-[2-[(2,4-dichlorophenyl)methylideneamino]ethyl]methanimine

C16H12Cl4N2 — CID 4127522

IUPAC1-(2,4-dichlorophenyl)-N-[2-[(2,4-dichlorophenyl)methylideneamino]ethyl]methanimine
SMILESClc1ccc(/C=N/CC/N=C/c2ccc(Cl)cc2Cl)c(Cl)c1
InChIInChI=1S/C16H12Cl4N2/c17-13-3-1-11(15(19)7-13)9-21-5-6-22-10-12-2-4-14(18)8-16(12)20/h1-4,7-10H,5-6H2/b21-9+,22-10+
InChIKeyLEQRXQOSITZTTI-VGENTYGXSA-N
MW374.10 g/mol
LogP5.84
Rot. Bonds5

About 1-(2,4-dichlorophenyl)-N-[2-[(2,4-dichlorophenyl)methylideneamino]ethyl]methanimine

1-(2,4-dichlorophenyl)-N-[2-[(2,4-dichlorophenyl)methylideneamino]ethyl]methanimine (PubChem CID 4127522) has the molecular formula C16H12Cl4N2 and a molecular weight of 374.10 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-[2-[(2,4-dichlorophenyl)methylideneamino]ethyl]methanimine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-[2-[(2,4-dichlorophenyl)methylideneamino]ethyl]methanimine
PubChem CID4127522
Molecular FormulaC16H12Cl4N2
Molecular Weight374.10 g/mol
Exact Mass371.98
IUPAC Name1-(2,4-dichlorophenyl)-N-[2-[(2,4-dichlorophenyl)methylideneamino]ethyl]methanimine
SMILESClc1ccc(/C=N/CC/N=C/c2ccc(Cl)cc2Cl)c(Cl)c1
InChIInChI=1S/C16H12Cl4N2/c17-13-3-1-11(15(19)7-13)9-21-5-6-22-10-12-2-4-14(18)8-16(12)20/h1-4,7-10H,5-6H2/b21-9+,22-10+
InChIKeyLEQRXQOSITZTTI-VGENTYGXSA-N
XLogP5.84
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.10
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-[2-[(2,4-dichlorophenyl)methylideneamino]ethyl]methanimine?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-[2-[(2,4-dichlorophenyl)methylideneamino]ethyl]methanimine (CID 4127522) is 1-(2,4-dichlorophenyl)-N-[2-[(2,4-dichlorophenyl)methylideneamino]ethyl]methanimine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-[2-[(2,4-dichlorophenyl)methylideneamino]ethyl]methanimine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-[2-[(2,4-dichlorophenyl)methylideneamino]ethyl]methanimine is Clc1ccc(/C=N/CC/N=C/c2ccc(Cl)cc2Cl)c(Cl)c1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-[2-[(2,4-dichlorophenyl)methylideneamino]ethyl]methanimine?
The InChIKey is LEQRXQOSITZTTI-VGENTYGXSA-N. The full InChI is InChI=1S/C16H12Cl4N2/c17-13-3-1-11(15(19)7-13)9-21-5-6-22-10-12-2-4-14(18)8-16(12)20/h1-4,7-10H,5-6H2/b21-9+,22-10+.
What are the key properties of 1-(2,4-dichlorophenyl)-N-[2-[(2,4-dichlorophenyl)methylideneamino]ethyl]methanimine?
1-(2,4-dichlorophenyl)-N-[2-[(2,4-dichlorophenyl)methylideneamino]ethyl]methanimine has a molecular weight of 374.10 g/mol, XLogP of 5.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-[2-[(2,4-dichlorophenyl)methylideneamino]ethyl]methanimine is sourced from PubChem (CID 4127522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).