2-(2-chloro-6-fluorophenyl)-4,5-diphenyl-1H-imidazole

C21H14ClFN2 — CID 3116839

IUPAC2-(2-chloro-6-fluorophenyl)-4,5-diphenyl-1H-imidazole
SMILESFc1cccc(Cl)c1-c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1
InChIInChI=1S/C21H14ClFN2/c22-16-12-7-13-17(23)18(16)21-24-19(14-8-3-1-4-9-14)20(25-21)15-10-5-2-6-11-15/h1-13H,(H,24,25)
InChIKeyDCXUPSADCQSXKX-UHFFFAOYSA-N
MW348.81 g/mol
LogP6.20
Rot. Bonds3

About 2-(2-chloro-6-fluorophenyl)-4,5-diphenyl-1H-imidazole

2-(2-chloro-6-fluorophenyl)-4,5-diphenyl-1H-imidazole (PubChem CID 3116839) has the molecular formula C21H14ClFN2 and a molecular weight of 348.81 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-4,5-diphenyl-1H-imidazole.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-4,5-diphenyl-1H-imidazole
PubChem CID3116839
Molecular FormulaC21H14ClFN2
Molecular Weight348.81 g/mol
Exact Mass348.08
IUPAC Name2-(2-chloro-6-fluorophenyl)-4,5-diphenyl-1H-imidazole
SMILESFc1cccc(Cl)c1-c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1
InChIInChI=1S/C21H14ClFN2/c22-16-12-7-13-17(23)18(16)21-24-19(14-8-3-1-4-9-14)20(25-21)15-10-5-2-6-11-15/h1-13H,(H,24,25)
InChIKeyDCXUPSADCQSXKX-UHFFFAOYSA-N
XLogP6.20
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.81
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}

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Related Compounds

CID 10232
CID 10232
CID 77123
CID 77123
CID 10910992
CID 10910992
CID 236696
CID 236696
CID 225500
CID 225500
CID 794727
CID 794727
CID 139308623
CID 139308623
CID 616595
CID 616595
CID 800028
CID 800028
CID 1521754
CID 1521754
CID 9796164
CID 9796164
CID 44319258
CID 44319258

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-4,5-diphenyl-1H-imidazole?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-4,5-diphenyl-1H-imidazole (CID 3116839) is 2-(2-chloro-6-fluorophenyl)-4,5-diphenyl-1H-imidazole.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-4,5-diphenyl-1H-imidazole?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-4,5-diphenyl-1H-imidazole is Fc1cccc(Cl)c1-c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-4,5-diphenyl-1H-imidazole?
The InChIKey is DCXUPSADCQSXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClFN2/c22-16-12-7-13-17(23)18(16)21-24-19(14-8-3-1-4-9-14)20(25-21)15-10-5-2-6-11-15/h1-13H,(H,24,25).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-4,5-diphenyl-1H-imidazole?
2-(2-chloro-6-fluorophenyl)-4,5-diphenyl-1H-imidazole has a molecular weight of 348.81 g/mol, XLogP of 6.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-4,5-diphenyl-1H-imidazole is sourced from PubChem (CID 3116839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).