1-N-[(2-chlorophenyl)methylidene]-3-N-[(4-chlorophenyl)methylidene]propane-1,2,3-triimine

C17H15Cl2N3 — CID 159435601

IUPAC1-N-[(2-chlorophenyl)methylidene]-3-N-[(4-chlorophenyl)methylidene]propane-1,2,3-triimine
SMILES[H]/N=C(\C/N=C/c1ccc(Cl)cc1)C/N=C/c1ccccc1Cl
InChIInChI=1S/C17H15Cl2N3/c18-15-7-5-13(6-8-15)9-21-11-16(20)12-22-10-14-3-1-2-4-17(14)19/h1-10,20H,11-12H2/b20-16+,21-9+,22-10+
InChIKeyLRNRDOQTZLMJBA-MFMBENMASA-N
MW332.23 g/mol
LogP4.55
Rot. Bonds6

About 1-N-[(2-chlorophenyl)methylidene]-3-N-[(4-chlorophenyl)methylidene]propane-1,2,3-triimine

1-N-[(2-chlorophenyl)methylidene]-3-N-[(4-chlorophenyl)methylidene]propane-1,2,3-triimine (PubChem CID 159435601) has the molecular formula C17H15Cl2N3 and a molecular weight of 332.23 g/mol. Its IUPAC name is 1-N-[(2-chlorophenyl)methylidene]-3-N-[(4-chlorophenyl)methylidene]propane-1,2,3-triimine.

Molecular Properties

Compound Name1-N-[(2-chlorophenyl)methylidene]-3-N-[(4-chlorophenyl)methylidene]propane-1,2,3-triimine
PubChem CID159435601
Molecular FormulaC17H15Cl2N3
Molecular Weight332.23 g/mol
Exact Mass331.06
IUPAC Name1-N-[(2-chlorophenyl)methylidene]-3-N-[(4-chlorophenyl)methylidene]propane-1,2,3-triimine
SMILES[H]/N=C(\C/N=C/c1ccc(Cl)cc1)C/N=C/c1ccccc1Cl
InChIInChI=1S/C17H15Cl2N3/c18-15-7-5-13(6-8-15)9-21-11-16(20)12-22-10-14-3-1-2-4-17(14)19/h1-10,20H,11-12H2/b20-16+,21-9+,22-10+
InChIKeyLRNRDOQTZLMJBA-MFMBENMASA-N
XLogP4.55
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-N-[(2-chlorophenyl)methylidene]-3-N-[(4-chlorophenyl)methylidene]propane-1,2,3-triimine?
The IUPAC name of 1-N-[(2-chlorophenyl)methylidene]-3-N-[(4-chlorophenyl)methylidene]propane-1,2,3-triimine (CID 159435601) is 1-N-[(2-chlorophenyl)methylidene]-3-N-[(4-chlorophenyl)methylidene]propane-1,2,3-triimine.
What is the SMILES notation for 1-N-[(2-chlorophenyl)methylidene]-3-N-[(4-chlorophenyl)methylidene]propane-1,2,3-triimine?
The canonical SMILES for 1-N-[(2-chlorophenyl)methylidene]-3-N-[(4-chlorophenyl)methylidene]propane-1,2,3-triimine is [H]/N=C(\C/N=C/c1ccc(Cl)cc1)C/N=C/c1ccccc1Cl.
What is the InChIKey of 1-N-[(2-chlorophenyl)methylidene]-3-N-[(4-chlorophenyl)methylidene]propane-1,2,3-triimine?
The InChIKey is LRNRDOQTZLMJBA-MFMBENMASA-N. The full InChI is InChI=1S/C17H15Cl2N3/c18-15-7-5-13(6-8-15)9-21-11-16(20)12-22-10-14-3-1-2-4-17(14)19/h1-10,20H,11-12H2/b20-16+,21-9+,22-10+.
What are the key properties of 1-N-[(2-chlorophenyl)methylidene]-3-N-[(4-chlorophenyl)methylidene]propane-1,2,3-triimine?
1-N-[(2-chlorophenyl)methylidene]-3-N-[(4-chlorophenyl)methylidene]propane-1,2,3-triimine has a molecular weight of 332.23 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(2-chlorophenyl)methylidene]-3-N-[(4-chlorophenyl)methylidene]propane-1,2,3-triimine is sourced from PubChem (CID 159435601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).