5-(2,4,5-trichlorophenyl)-2-[(3,4,5-trichlorophenyl)methyl]-1H-imidazole

C16H8Cl6N2 — CID 141255867

IUPAC5-(2,4,5-trichlorophenyl)-2-[(3,4,5-trichlorophenyl)methyl]-1H-imidazole
SMILESClc1cc(Cl)c(-c2cnc(Cc3cc(Cl)c(Cl)c(Cl)c3)[nH]2)cc1Cl
InChIInChI=1S/C16H8Cl6N2/c17-9-5-11(19)10(18)4-8(9)14-6-23-15(24-14)3-7-1-12(20)16(22)13(21)2-7/h1-2,4-6H,3H2,(H,23,24)
InChIKeySIEUWXICSQXSAB-UHFFFAOYSA-N
MW440.97 g/mol
LogP7.59
Rot. Bonds3

About 5-(2,4,5-trichlorophenyl)-2-[(3,4,5-trichlorophenyl)methyl]-1H-imidazole

5-(2,4,5-trichlorophenyl)-2-[(3,4,5-trichlorophenyl)methyl]-1H-imidazole (PubChem CID 141255867) has the molecular formula C16H8Cl6N2 and a molecular weight of 440.97 g/mol. Its IUPAC name is 5-(2,4,5-trichlorophenyl)-2-[(3,4,5-trichlorophenyl)methyl]-1H-imidazole.

Molecular Properties

Compound Name5-(2,4,5-trichlorophenyl)-2-[(3,4,5-trichlorophenyl)methyl]-1H-imidazole
PubChem CID141255867
Molecular FormulaC16H8Cl6N2
Molecular Weight440.97 g/mol
Exact Mass437.88
IUPAC Name5-(2,4,5-trichlorophenyl)-2-[(3,4,5-trichlorophenyl)methyl]-1H-imidazole
SMILESClc1cc(Cl)c(-c2cnc(Cc3cc(Cl)c(Cl)c(Cl)c3)[nH]2)cc1Cl
InChIInChI=1S/C16H8Cl6N2/c17-9-5-11(19)10(18)4-8(9)14-6-23-15(24-14)3-7-1-12(20)16(22)13(21)2-7/h1-2,4-6H,3H2,(H,23,24)
InChIKeySIEUWXICSQXSAB-UHFFFAOYSA-N
XLogP7.59
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.97
LogP ≤ 57.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 5-(2,4,5-trichlorophenyl)-2-[(3,4,5-trichlorophenyl)methyl]-1H-imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2,4,5-trichlorophenyl)-2-[(3,4,5-trichlorophenyl)methyl]-1H-imidazole?
The IUPAC name of 5-(2,4,5-trichlorophenyl)-2-[(3,4,5-trichlorophenyl)methyl]-1H-imidazole (CID 141255867) is 5-(2,4,5-trichlorophenyl)-2-[(3,4,5-trichlorophenyl)methyl]-1H-imidazole.
What is the SMILES notation for 5-(2,4,5-trichlorophenyl)-2-[(3,4,5-trichlorophenyl)methyl]-1H-imidazole?
The canonical SMILES for 5-(2,4,5-trichlorophenyl)-2-[(3,4,5-trichlorophenyl)methyl]-1H-imidazole is Clc1cc(Cl)c(-c2cnc(Cc3cc(Cl)c(Cl)c(Cl)c3)[nH]2)cc1Cl.
What is the InChIKey of 5-(2,4,5-trichlorophenyl)-2-[(3,4,5-trichlorophenyl)methyl]-1H-imidazole?
The InChIKey is SIEUWXICSQXSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8Cl6N2/c17-9-5-11(19)10(18)4-8(9)14-6-23-15(24-14)3-7-1-12(20)16(22)13(21)2-7/h1-2,4-6H,3H2,(H,23,24).
What are the key properties of 5-(2,4,5-trichlorophenyl)-2-[(3,4,5-trichlorophenyl)methyl]-1H-imidazole?
5-(2,4,5-trichlorophenyl)-2-[(3,4,5-trichlorophenyl)methyl]-1H-imidazole has a molecular weight of 440.97 g/mol, XLogP of 7.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4,5-trichlorophenyl)-2-[(3,4,5-trichlorophenyl)methyl]-1H-imidazole is sourced from PubChem (CID 141255867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).