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

C21H14ClFN2O — CID 52947272

IUPAC2-(2-chloro-6-fluorophenyl)-5-(4-phenoxyphenyl)-1H-imidazole
SMILESFc1cccc(Cl)c1-c1ncc(-c2ccc(Oc3ccccc3)cc2)[nH]1
InChIInChI=1S/C21H14ClFN2O/c22-17-7-4-8-18(23)20(17)21-24-13-19(25-21)14-9-11-16(12-10-14)26-15-5-2-1-3-6-15/h1-13H,(H,24,25)
InChIKeyRFFFOBZNDHLUAV-UHFFFAOYSA-N
MW364.81 g/mol
LogP6.33
Rot. Bonds4

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

2-(2-chloro-6-fluorophenyl)-5-(4-phenoxyphenyl)-1H-imidazole (PubChem CID 52947272) has the molecular formula C21H14ClFN2O and a molecular weight of 364.81 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-5-(4-phenoxyphenyl)-1H-imidazole.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-5-(4-phenoxyphenyl)-1H-imidazole
PubChem CID52947272
Molecular FormulaC21H14ClFN2O
Molecular Weight364.81 g/mol
Exact Mass364.08
IUPAC Name2-(2-chloro-6-fluorophenyl)-5-(4-phenoxyphenyl)-1H-imidazole
SMILESFc1cccc(Cl)c1-c1ncc(-c2ccc(Oc3ccccc3)cc2)[nH]1
InChIInChI=1S/C21H14ClFN2O/c22-17-7-4-8-18(23)20(17)21-24-13-19(25-21)14-9-11-16(12-10-14)26-15-5-2-1-3-6-15/h1-13H,(H,24,25)
InChIKeyRFFFOBZNDHLUAV-UHFFFAOYSA-N
XLogP6.33
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.81
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-5-(4-phenoxyphenyl)-1H-imidazole?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-5-(4-phenoxyphenyl)-1H-imidazole (CID 52947272) is 2-(2-chloro-6-fluorophenyl)-5-(4-phenoxyphenyl)-1H-imidazole.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-5-(4-phenoxyphenyl)-1H-imidazole?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-5-(4-phenoxyphenyl)-1H-imidazole is Fc1cccc(Cl)c1-c1ncc(-c2ccc(Oc3ccccc3)cc2)[nH]1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-5-(4-phenoxyphenyl)-1H-imidazole?
The InChIKey is RFFFOBZNDHLUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClFN2O/c22-17-7-4-8-18(23)20(17)21-24-13-19(25-21)14-9-11-16(12-10-14)26-15-5-2-1-3-6-15/h1-13H,(H,24,25).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-5-(4-phenoxyphenyl)-1H-imidazole?
2-(2-chloro-6-fluorophenyl)-5-(4-phenoxyphenyl)-1H-imidazole has a molecular weight of 364.81 g/mol, XLogP of 6.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-5-(4-phenoxyphenyl)-1H-imidazole is sourced from PubChem (CID 52947272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).