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

C15H9Cl2FN2 — CID 52945866

IUPAC2-(2-chloro-6-fluorophenyl)-5-(4-chlorophenyl)-1H-imidazole
SMILESFc1cccc(Cl)c1-c1ncc(-c2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C15H9Cl2FN2/c16-10-6-4-9(5-7-10)13-8-19-15(20-13)14-11(17)2-1-3-12(14)18/h1-8H,(H,19,20)
InChIKeyUKPCWBJPYZRHKN-UHFFFAOYSA-N
MW307.16 g/mol
LogP5.19
Rot. Bonds2

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

2-(2-chloro-6-fluorophenyl)-5-(4-chlorophenyl)-1H-imidazole (PubChem CID 52945866) has the molecular formula C15H9Cl2FN2 and a molecular weight of 307.16 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-5-(4-chlorophenyl)-1H-imidazole.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-5-(4-chlorophenyl)-1H-imidazole
PubChem CID52945866
Molecular FormulaC15H9Cl2FN2
Molecular Weight307.16 g/mol
Exact Mass306.01
IUPAC Name2-(2-chloro-6-fluorophenyl)-5-(4-chlorophenyl)-1H-imidazole
SMILESFc1cccc(Cl)c1-c1ncc(-c2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C15H9Cl2FN2/c16-10-6-4-9(5-7-10)13-8-19-15(20-13)14-11(17)2-1-3-12(14)18/h1-8H,(H,19,20)
InChIKeyUKPCWBJPYZRHKN-UHFFFAOYSA-N
XLogP5.19
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.16
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-5-(4-chlorophenyl)-1H-imidazole?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-5-(4-chlorophenyl)-1H-imidazole (CID 52945866) is 2-(2-chloro-6-fluorophenyl)-5-(4-chlorophenyl)-1H-imidazole.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-5-(4-chlorophenyl)-1H-imidazole?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-5-(4-chlorophenyl)-1H-imidazole is Fc1cccc(Cl)c1-c1ncc(-c2ccc(Cl)cc2)[nH]1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-5-(4-chlorophenyl)-1H-imidazole?
The InChIKey is UKPCWBJPYZRHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2FN2/c16-10-6-4-9(5-7-10)13-8-19-15(20-13)14-11(17)2-1-3-12(14)18/h1-8H,(H,19,20).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-5-(4-chlorophenyl)-1H-imidazole?
2-(2-chloro-6-fluorophenyl)-5-(4-chlorophenyl)-1H-imidazole has a molecular weight of 307.16 g/mol, XLogP of 5.19, 2 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)-5-(4-chlorophenyl)-1H-imidazole is sourced from PubChem (CID 52945866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).