6-bromo-2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole

C22H14BrFN4 — CID 122189081

IUPAC6-bromo-2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole
SMILESFc1ccc(-c2nn(-c3ccccc3)cc2-c2nc3ccc(Br)cc3[nH]2)cc1
InChIInChI=1S/C22H14BrFN4/c23-15-8-11-19-20(12-15)26-22(25-19)18-13-28(17-4-2-1-3-5-17)27-21(18)14-6-9-16(24)10-7-14/h1-13H,(H,25,26)
InChIKeyGXYRANAVOYCMFM-UHFFFAOYSA-N
MW433.28 g/mol
LogP5.98
Rot. Bonds3

About 6-bromo-2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole

6-bromo-2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole (PubChem CID 122189081) has the molecular formula C22H14BrFN4 and a molecular weight of 433.28 g/mol. Its IUPAC name is 6-bromo-2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole.

Molecular Properties

Compound Name6-bromo-2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole
PubChem CID122189081
Molecular FormulaC22H14BrFN4
Molecular Weight433.28 g/mol
Exact Mass432.04
IUPAC Name6-bromo-2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole
SMILESFc1ccc(-c2nn(-c3ccccc3)cc2-c2nc3ccc(Br)cc3[nH]2)cc1
InChIInChI=1S/C22H14BrFN4/c23-15-8-11-19-20(12-15)26-22(25-19)18-13-28(17-4-2-1-3-5-17)27-21(18)14-6-9-16(24)10-7-14/h1-13H,(H,25,26)
InChIKeyGXYRANAVOYCMFM-UHFFFAOYSA-N
XLogP5.98
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.28
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole?
The IUPAC name of 6-bromo-2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole (CID 122189081) is 6-bromo-2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole.
What is the SMILES notation for 6-bromo-2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole?
The canonical SMILES for 6-bromo-2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole is Fc1ccc(-c2nn(-c3ccccc3)cc2-c2nc3ccc(Br)cc3[nH]2)cc1.
What is the InChIKey of 6-bromo-2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole?
The InChIKey is GXYRANAVOYCMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14BrFN4/c23-15-8-11-19-20(12-15)26-22(25-19)18-13-28(17-4-2-1-3-5-17)27-21(18)14-6-9-16(24)10-7-14/h1-13H,(H,25,26).
What are the key properties of 6-bromo-2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole?
6-bromo-2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole has a molecular weight of 433.28 g/mol, XLogP of 5.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole is sourced from PubChem (CID 122189081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).