2,4,5-trichloro-2-(4-chlorophenyl)imidazole

C9H4Cl4N2 — CID 21491497

IUPAC2,4,5-trichloro-2-(4-chlorophenyl)imidazole
SMILESClC1=NC(Cl)(c2ccc(Cl)cc2)N=C1Cl
InChIInChI=1S/C9H4Cl4N2/c10-6-3-1-5(2-4-6)9(13)14-7(11)8(12)15-9/h1-4H
InChIKeyDNKRUSSZCNDUBA-UHFFFAOYSA-N
MW281.96 g/mol
LogP3.98
Rot. Bonds1

About 2,4,5-trichloro-2-(4-chlorophenyl)imidazole

2,4,5-trichloro-2-(4-chlorophenyl)imidazole (PubChem CID 21491497) has the molecular formula C9H4Cl4N2 and a molecular weight of 281.96 g/mol. Its IUPAC name is 2,4,5-trichloro-2-(4-chlorophenyl)imidazole.

Molecular Properties

Compound Name2,4,5-trichloro-2-(4-chlorophenyl)imidazole
PubChem CID21491497
Molecular FormulaC9H4Cl4N2
Molecular Weight281.96 g/mol
Exact Mass279.91
IUPAC Name2,4,5-trichloro-2-(4-chlorophenyl)imidazole
SMILESClC1=NC(Cl)(c2ccc(Cl)cc2)N=C1Cl
InChIInChI=1S/C9H4Cl4N2/c10-6-3-1-5(2-4-6)9(13)14-7(11)8(12)15-9/h1-4H
InChIKeyDNKRUSSZCNDUBA-UHFFFAOYSA-N
XLogP3.98
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.96
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-trichloro-2-(4-chlorophenyl)imidazole?
The IUPAC name of 2,4,5-trichloro-2-(4-chlorophenyl)imidazole (CID 21491497) is 2,4,5-trichloro-2-(4-chlorophenyl)imidazole.
What is the SMILES notation for 2,4,5-trichloro-2-(4-chlorophenyl)imidazole?
The canonical SMILES for 2,4,5-trichloro-2-(4-chlorophenyl)imidazole is ClC1=NC(Cl)(c2ccc(Cl)cc2)N=C1Cl.
What is the InChIKey of 2,4,5-trichloro-2-(4-chlorophenyl)imidazole?
The InChIKey is DNKRUSSZCNDUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Cl4N2/c10-6-3-1-5(2-4-6)9(13)14-7(11)8(12)15-9/h1-4H.
What are the key properties of 2,4,5-trichloro-2-(4-chlorophenyl)imidazole?
2,4,5-trichloro-2-(4-chlorophenyl)imidazole has a molecular weight of 281.96 g/mol, XLogP of 3.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trichloro-2-(4-chlorophenyl)imidazole is sourced from PubChem (CID 21491497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).