2-(2-bromophenyl)-4,6-difluoro-1H-benzimidazole

C13H7BrF2N2 — CID 81463555

IUPAC2-(2-bromophenyl)-4,6-difluoro-1H-benzimidazole
SMILESFc1cc(F)c2nc(-c3ccccc3Br)[nH]c2c1
InChIInChI=1S/C13H7BrF2N2/c14-9-4-2-1-3-8(9)13-17-11-6-7(15)5-10(16)12(11)18-13/h1-6H,(H,17,18)
InChIKeyZAELHCWXYHDCET-UHFFFAOYSA-N
MW309.11 g/mol
LogP4.27
Rot. Bonds1

About 2-(2-bromophenyl)-4,6-difluoro-1H-benzimidazole

2-(2-bromophenyl)-4,6-difluoro-1H-benzimidazole (PubChem CID 81463555) has the molecular formula C13H7BrF2N2 and a molecular weight of 309.11 g/mol. Its IUPAC name is 2-(2-bromophenyl)-4,6-difluoro-1H-benzimidazole.

Molecular Properties

Compound Name2-(2-bromophenyl)-4,6-difluoro-1H-benzimidazole
PubChem CID81463555
Molecular FormulaC13H7BrF2N2
Molecular Weight309.11 g/mol
Exact Mass307.98
IUPAC Name2-(2-bromophenyl)-4,6-difluoro-1H-benzimidazole
SMILESFc1cc(F)c2nc(-c3ccccc3Br)[nH]c2c1
InChIInChI=1S/C13H7BrF2N2/c14-9-4-2-1-3-8(9)13-17-11-6-7(15)5-10(16)12(11)18-13/h1-6H,(H,17,18)
InChIKeyZAELHCWXYHDCET-UHFFFAOYSA-N
XLogP4.27
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.11
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 12132
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2-(difluoromethyl)-1H-1,3-benzodiazole
CID 597703
4-(1H-1,3-benzodiazol-2-yl)aniline
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6-Bromo-2-trifluoromethyl-1H-benzoimidazole
CID 19343
2-(2-Methylphenyl)-1H-benzimidazole
CID 200946
2-(1H-benzimidazol-2-yl)aniline
CID 79869
3-(1H-1,3-benzodiazol-2-yl)aniline
CID 348695
5-(1H-1,3-benzodiazol-2-yl)-2-methylaniline
CID 721011
2-[(E)-2-phenylethenyl]-1H-benzimidazole
CID 5708003

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-4,6-difluoro-1H-benzimidazole?
The IUPAC name of 2-(2-bromophenyl)-4,6-difluoro-1H-benzimidazole (CID 81463555) is 2-(2-bromophenyl)-4,6-difluoro-1H-benzimidazole.
What is the SMILES notation for 2-(2-bromophenyl)-4,6-difluoro-1H-benzimidazole?
The canonical SMILES for 2-(2-bromophenyl)-4,6-difluoro-1H-benzimidazole is Fc1cc(F)c2nc(-c3ccccc3Br)[nH]c2c1.
What is the InChIKey of 2-(2-bromophenyl)-4,6-difluoro-1H-benzimidazole?
The InChIKey is ZAELHCWXYHDCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrF2N2/c14-9-4-2-1-3-8(9)13-17-11-6-7(15)5-10(16)12(11)18-13/h1-6H,(H,17,18).
What are the key properties of 2-(2-bromophenyl)-4,6-difluoro-1H-benzimidazole?
2-(2-bromophenyl)-4,6-difluoro-1H-benzimidazole has a molecular weight of 309.11 g/mol, XLogP of 4.27, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-4,6-difluoro-1H-benzimidazole is sourced from PubChem (CID 81463555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).