2-(3-bromophenoxy)-6-fluoro-5-(4-phenylphenyl)-1H-benzimidazole

C25H16BrFN2O — CID 67446383

IUPAC2-(3-bromophenoxy)-6-fluoro-5-(4-phenylphenyl)-1H-benzimidazole
SMILESFc1cc2[nH]c(Oc3cccc(Br)c3)nc2cc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H16BrFN2O/c26-19-7-4-8-20(13-19)30-25-28-23-14-21(22(27)15-24(23)29-25)18-11-9-17(10-12-18)16-5-2-1-3-6-16/h1-15H,(H,28,29)
InChIKeyMDSOPXUBYYJNCB-UHFFFAOYSA-N
MW459.32 g/mol
LogP7.59
Rot. Bonds4

About 2-(3-bromophenoxy)-6-fluoro-5-(4-phenylphenyl)-1H-benzimidazole

2-(3-bromophenoxy)-6-fluoro-5-(4-phenylphenyl)-1H-benzimidazole (PubChem CID 67446383) has the molecular formula C25H16BrFN2O and a molecular weight of 459.32 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-6-fluoro-5-(4-phenylphenyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(3-bromophenoxy)-6-fluoro-5-(4-phenylphenyl)-1H-benzimidazole
PubChem CID67446383
Molecular FormulaC25H16BrFN2O
Molecular Weight459.32 g/mol
Exact Mass458.04
IUPAC Name2-(3-bromophenoxy)-6-fluoro-5-(4-phenylphenyl)-1H-benzimidazole
SMILESFc1cc2[nH]c(Oc3cccc(Br)c3)nc2cc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H16BrFN2O/c26-19-7-4-8-20(13-19)30-25-28-23-14-21(22(27)15-24(23)29-25)18-11-9-17(10-12-18)16-5-2-1-3-6-16/h1-15H,(H,28,29)
InChIKeyMDSOPXUBYYJNCB-UHFFFAOYSA-N
XLogP7.59
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.32
LogP ≤ 57.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-6-fluoro-5-(4-phenylphenyl)-1H-benzimidazole?
The IUPAC name of 2-(3-bromophenoxy)-6-fluoro-5-(4-phenylphenyl)-1H-benzimidazole (CID 67446383) is 2-(3-bromophenoxy)-6-fluoro-5-(4-phenylphenyl)-1H-benzimidazole.
What is the SMILES notation for 2-(3-bromophenoxy)-6-fluoro-5-(4-phenylphenyl)-1H-benzimidazole?
The canonical SMILES for 2-(3-bromophenoxy)-6-fluoro-5-(4-phenylphenyl)-1H-benzimidazole is Fc1cc2[nH]c(Oc3cccc(Br)c3)nc2cc1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-(3-bromophenoxy)-6-fluoro-5-(4-phenylphenyl)-1H-benzimidazole?
The InChIKey is MDSOPXUBYYJNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16BrFN2O/c26-19-7-4-8-20(13-19)30-25-28-23-14-21(22(27)15-24(23)29-25)18-11-9-17(10-12-18)16-5-2-1-3-6-16/h1-15H,(H,28,29).
What are the key properties of 2-(3-bromophenoxy)-6-fluoro-5-(4-phenylphenyl)-1H-benzimidazole?
2-(3-bromophenoxy)-6-fluoro-5-(4-phenylphenyl)-1H-benzimidazole has a molecular weight of 459.32 g/mol, XLogP of 7.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-6-fluoro-5-(4-phenylphenyl)-1H-benzimidazole is sourced from PubChem (CID 67446383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).