2-(3-bromo-4-fluorophenyl)-4-phenyl-5-thiophen-2-yl-1H-imidazole

C19H12BrFN2S — CID 5209983

IUPAC2-(3-bromo-4-fluorophenyl)-4-phenyl-5-thiophen-2-yl-1H-imidazole
SMILESFc1ccc(-c2nc(-c3ccccc3)c(-c3cccs3)[nH]2)cc1Br
InChIInChI=1S/C19H12BrFN2S/c20-14-11-13(8-9-15(14)21)19-22-17(12-5-2-1-3-6-12)18(23-19)16-7-4-10-24-16/h1-11H,(H,22,23)
InChIKeyYJQNXPCKVSFGFN-UHFFFAOYSA-N
MW399.29 g/mol
LogP6.37
Rot. Bonds3

About 2-(3-bromo-4-fluorophenyl)-4-phenyl-5-thiophen-2-yl-1H-imidazole

2-(3-bromo-4-fluorophenyl)-4-phenyl-5-thiophen-2-yl-1H-imidazole (PubChem CID 5209983) has the molecular formula C19H12BrFN2S and a molecular weight of 399.29 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-4-phenyl-5-thiophen-2-yl-1H-imidazole.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-4-phenyl-5-thiophen-2-yl-1H-imidazole
PubChem CID5209983
Molecular FormulaC19H12BrFN2S
Molecular Weight399.29 g/mol
Exact Mass397.99
IUPAC Name2-(3-bromo-4-fluorophenyl)-4-phenyl-5-thiophen-2-yl-1H-imidazole
SMILESFc1ccc(-c2nc(-c3ccccc3)c(-c3cccs3)[nH]2)cc1Br
InChIInChI=1S/C19H12BrFN2S/c20-14-11-13(8-9-15(14)21)19-22-17(12-5-2-1-3-6-12)18(23-19)16-7-4-10-24-16/h1-11H,(H,22,23)
InChIKeyYJQNXPCKVSFGFN-UHFFFAOYSA-N
XLogP6.37
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.29
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)-4-phenyl-5-thiophen-2-yl-1H-imidazole?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-4-phenyl-5-thiophen-2-yl-1H-imidazole (CID 5209983) is 2-(3-bromo-4-fluorophenyl)-4-phenyl-5-thiophen-2-yl-1H-imidazole.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-4-phenyl-5-thiophen-2-yl-1H-imidazole?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-4-phenyl-5-thiophen-2-yl-1H-imidazole is Fc1ccc(-c2nc(-c3ccccc3)c(-c3cccs3)[nH]2)cc1Br.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-4-phenyl-5-thiophen-2-yl-1H-imidazole?
The InChIKey is YJQNXPCKVSFGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrFN2S/c20-14-11-13(8-9-15(14)21)19-22-17(12-5-2-1-3-6-12)18(23-19)16-7-4-10-24-16/h1-11H,(H,22,23).
What are the key properties of 2-(3-bromo-4-fluorophenyl)-4-phenyl-5-thiophen-2-yl-1H-imidazole?
2-(3-bromo-4-fluorophenyl)-4-phenyl-5-thiophen-2-yl-1H-imidazole has a molecular weight of 399.29 g/mol, XLogP of 6.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluorophenyl)-4-phenyl-5-thiophen-2-yl-1H-imidazole is sourced from PubChem (CID 5209983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).