2-(2,5-dibromophenyl)-5,6-difluoro-1H-benzimidazole

C13H6Br2F2N2 — CID 114373862

IUPAC2-(2,5-dibromophenyl)-5,6-difluoro-1H-benzimidazole
SMILESFc1cc2nc(-c3cc(Br)ccc3Br)[nH]c2cc1F
InChIInChI=1S/C13H6Br2F2N2/c14-6-1-2-8(15)7(3-6)13-18-11-4-9(16)10(17)5-12(11)19-13/h1-5H,(H,18,19)
InChIKeyPWJNYKQAXFHTQH-UHFFFAOYSA-N
MW388.01 g/mol
LogP5.03
Rot. Bonds1

About 2-(2,5-dibromophenyl)-5,6-difluoro-1H-benzimidazole

2-(2,5-dibromophenyl)-5,6-difluoro-1H-benzimidazole (PubChem CID 114373862) has the molecular formula C13H6Br2F2N2 and a molecular weight of 388.01 g/mol. Its IUPAC name is 2-(2,5-dibromophenyl)-5,6-difluoro-1H-benzimidazole.

Molecular Properties

Compound Name2-(2,5-dibromophenyl)-5,6-difluoro-1H-benzimidazole
PubChem CID114373862
Molecular FormulaC13H6Br2F2N2
Molecular Weight388.01 g/mol
Exact Mass385.89
IUPAC Name2-(2,5-dibromophenyl)-5,6-difluoro-1H-benzimidazole
SMILESFc1cc2nc(-c3cc(Br)ccc3Br)[nH]c2cc1F
InChIInChI=1S/C13H6Br2F2N2/c14-6-1-2-8(15)7(3-6)13-18-11-4-9(16)10(17)5-12(11)19-13/h1-5H,(H,18,19)
InChIKeyPWJNYKQAXFHTQH-UHFFFAOYSA-N
XLogP5.03
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.01
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5-bromo-2-fluorophenyl)-5,6-dimethyl-1H-benzimidazole
CID 55185573
2-(6-bromo-1H-benzimidazol-2-yl)-4,5-difluoroaniline
CID 62866966
5,6-dichloro-2-(2,4-dibromophenyl)-1H-benzimidazole
CID 107939532
2-(5-bromo-2-fluorophenyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 43349104
5-bromo-2-(5-chloro-2-fluorophenyl)-6-fluoro-1H-benzimidazole
CID 79631329
6-bromo-2-(2-bromo-5-methoxyphenyl)-1H-benzimidazole
CID 64724147
6-bromo-2-(2,4-dibromophenyl)-1H-benzimidazole
CID 107939488
3-(5,6-difluoro-1H-benzimidazol-2-yl)-4-fluoroaniline
CID 60835368
2-(2-bromo-4-fluorophenyl)-5,6-difluoro-1H-benzimidazole;sulfanylidene-[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane
CID 157123824
2-(3-bromo-4-chlorophenyl)-5,6-difluoro-1H-benzimidazole
CID 107989360
4-(5,6-difluoro-1H-benzimidazol-2-yl)phenol
CID 135927902
3-(5,6-difluoro-1H-benzimidazol-2-yl)benzene-1,2-diol
CID 136928229

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dibromophenyl)-5,6-difluoro-1H-benzimidazole?
The IUPAC name of 2-(2,5-dibromophenyl)-5,6-difluoro-1H-benzimidazole (CID 114373862) is 2-(2,5-dibromophenyl)-5,6-difluoro-1H-benzimidazole.
What is the SMILES notation for 2-(2,5-dibromophenyl)-5,6-difluoro-1H-benzimidazole?
The canonical SMILES for 2-(2,5-dibromophenyl)-5,6-difluoro-1H-benzimidazole is Fc1cc2nc(-c3cc(Br)ccc3Br)[nH]c2cc1F.
What is the InChIKey of 2-(2,5-dibromophenyl)-5,6-difluoro-1H-benzimidazole?
The InChIKey is PWJNYKQAXFHTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Br2F2N2/c14-6-1-2-8(15)7(3-6)13-18-11-4-9(16)10(17)5-12(11)19-13/h1-5H,(H,18,19).
What are the key properties of 2-(2,5-dibromophenyl)-5,6-difluoro-1H-benzimidazole?
2-(2,5-dibromophenyl)-5,6-difluoro-1H-benzimidazole has a molecular weight of 388.01 g/mol, XLogP of 5.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dibromophenyl)-5,6-difluoro-1H-benzimidazole is sourced from PubChem (CID 114373862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).