1,3-diphenyl-2-(trichloromethyl)-2H-imidazole

C16H13Cl3N2 — CID 66876684

IUPAC1,3-diphenyl-2-(trichloromethyl)-2H-imidazole
SMILESClC(Cl)(Cl)C1N(c2ccccc2)C=CN1c1ccccc1
InChIInChI=1S/C16H13Cl3N2/c17-16(18,19)15-20(13-7-3-1-4-8-13)11-12-21(15)14-9-5-2-6-10-14/h1-12,15H
InChIKeyWEIRZOIRPXEPRT-UHFFFAOYSA-N
MW339.65 g/mol
LogP5.18
Rot. Bonds2

About 1,3-diphenyl-2-(trichloromethyl)-2H-imidazole

1,3-diphenyl-2-(trichloromethyl)-2H-imidazole (PubChem CID 66876684) has the molecular formula C16H13Cl3N2 and a molecular weight of 339.65 g/mol. Its IUPAC name is 1,3-diphenyl-2-(trichloromethyl)-2H-imidazole.

Molecular Properties

Compound Name1,3-diphenyl-2-(trichloromethyl)-2H-imidazole
PubChem CID66876684
Molecular FormulaC16H13Cl3N2
Molecular Weight339.65 g/mol
Exact Mass338.01
IUPAC Name1,3-diphenyl-2-(trichloromethyl)-2H-imidazole
SMILESClC(Cl)(Cl)C1N(c2ccccc2)C=CN1c1ccccc1
InChIInChI=1S/C16H13Cl3N2/c17-16(18,19)15-20(13-7-3-1-4-8-13)11-12-21(15)14-9-5-2-6-10-14/h1-12,15H
InChIKeyWEIRZOIRPXEPRT-UHFFFAOYSA-N
XLogP5.18
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.65
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-diphenyl-2-(trichloromethyl)-2H-imidazole?
The IUPAC name of 1,3-diphenyl-2-(trichloromethyl)-2H-imidazole (CID 66876684) is 1,3-diphenyl-2-(trichloromethyl)-2H-imidazole.
What is the SMILES notation for 1,3-diphenyl-2-(trichloromethyl)-2H-imidazole?
The canonical SMILES for 1,3-diphenyl-2-(trichloromethyl)-2H-imidazole is ClC(Cl)(Cl)C1N(c2ccccc2)C=CN1c1ccccc1.
What is the InChIKey of 1,3-diphenyl-2-(trichloromethyl)-2H-imidazole?
The InChIKey is WEIRZOIRPXEPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl3N2/c17-16(18,19)15-20(13-7-3-1-4-8-13)11-12-21(15)14-9-5-2-6-10-14/h1-12,15H.
What are the key properties of 1,3-diphenyl-2-(trichloromethyl)-2H-imidazole?
1,3-diphenyl-2-(trichloromethyl)-2H-imidazole has a molecular weight of 339.65 g/mol, XLogP of 5.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenyl-2-(trichloromethyl)-2H-imidazole is sourced from PubChem (CID 66876684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).