1-(2,4-dichlorophenyl)-N-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]methanimine

C21H17Cl2N3 — CID 3269029

IUPAC1-(2,4-dichlorophenyl)-N-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]methanimine
SMILESCc1cc(/N=N/c2ccccc2C)ccc1/N=C/c1ccc(Cl)cc1Cl
InChIInChI=1S/C21H17Cl2N3/c1-14-5-3-4-6-21(14)26-25-18-9-10-20(15(2)11-18)24-13-16-7-8-17(22)12-19(16)23/h3-13H,1-2H3/b24-13+,26-25+
InChIKeyVMKPLVWOEXDHSQ-ZXSYOUNQSA-N
MW382.29 g/mol
LogP7.78
Rot. Bonds4

About 1-(2,4-dichlorophenyl)-N-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]methanimine

1-(2,4-dichlorophenyl)-N-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]methanimine (PubChem CID 3269029) has the molecular formula C21H17Cl2N3 and a molecular weight of 382.29 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]methanimine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]methanimine
PubChem CID3269029
Molecular FormulaC21H17Cl2N3
Molecular Weight382.29 g/mol
Exact Mass381.08
IUPAC Name1-(2,4-dichlorophenyl)-N-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]methanimine
SMILESCc1cc(/N=N/c2ccccc2C)ccc1/N=C/c1ccc(Cl)cc1Cl
InChIInChI=1S/C21H17Cl2N3/c1-14-5-3-4-6-21(14)26-25-18-9-10-20(15(2)11-18)24-13-16-7-8-17(22)12-19(16)23/h3-13H,1-2H3/b24-13+,26-25+
InChIKeyVMKPLVWOEXDHSQ-ZXSYOUNQSA-N
XLogP7.78
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.29
LogP ≤ 57.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', '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-methyl-4-[(2-methylphenyl)diazenyl]phenyl]methanimine?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]methanimine (CID 3269029) is 1-(2,4-dichlorophenyl)-N-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]methanimine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]methanimine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]methanimine is Cc1cc(/N=N/c2ccccc2C)ccc1/N=C/c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]methanimine?
The InChIKey is VMKPLVWOEXDHSQ-ZXSYOUNQSA-N. The full InChI is InChI=1S/C21H17Cl2N3/c1-14-5-3-4-6-21(14)26-25-18-9-10-20(15(2)11-18)24-13-16-7-8-17(22)12-19(16)23/h3-13H,1-2H3/b24-13+,26-25+.
What are the key properties of 1-(2,4-dichlorophenyl)-N-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]methanimine?
1-(2,4-dichlorophenyl)-N-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]methanimine has a molecular weight of 382.29 g/mol, XLogP of 7.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]methanimine is sourced from PubChem (CID 3269029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).