[2-(1H-benzimidazol-2-yl)-5-fluorophenyl]-trifluoroboranuide

C13H8BF4N2- — CID 168555826

IUPAC[2-(1H-benzimidazol-2-yl)-5-fluorophenyl]-trifluoroboranuide
SMILESFc1ccc(-c2nc3ccccc3[nH]2)c([B-](F)(F)F)c1
InChIInChI=1S/C13H8BF4N2/c15-8-5-6-9(10(7-8)14(16,17)18)13-19-11-3-1-2-4-12(11)20-13/h1-7H,(H,19,20)/q-1
InChIKeyGGAYVPUPWDDAAW-UHFFFAOYSA-N
MW279.03 g/mol
LogP3.42
Rot. Bonds2

About [2-(1H-benzimidazol-2-yl)-5-fluorophenyl]-trifluoroboranuide

[2-(1H-benzimidazol-2-yl)-5-fluorophenyl]-trifluoroboranuide (PubChem CID 168555826) has the molecular formula C13H8BF4N2- and a molecular weight of 279.03 g/mol. Its IUPAC name is [2-(1H-benzimidazol-2-yl)-5-fluorophenyl]-trifluoroboranuide.

Molecular Properties

Compound Name[2-(1H-benzimidazol-2-yl)-5-fluorophenyl]-trifluoroboranuide
PubChem CID168555826
Molecular FormulaC13H8BF4N2-
Molecular Weight279.03 g/mol
Exact Mass279.07
IUPAC Name[2-(1H-benzimidazol-2-yl)-5-fluorophenyl]-trifluoroboranuide
SMILESFc1ccc(-c2nc3ccccc3[nH]2)c([B-](F)(F)F)c1
InChIInChI=1S/C13H8BF4N2/c15-8-5-6-9(10(7-8)14(16,17)18)13-19-11-3-1-2-4-12(11)20-13/h1-7H,(H,19,20)/q-1
InChIKeyGGAYVPUPWDDAAW-UHFFFAOYSA-N
XLogP3.42
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.03
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-(2,5-difluorophenyl)-1H-benzimidazole
CID 43348986
2-(5-fluoro-2-pyrazol-1-ylphenyl)-1H-benzimidazole
CID 168553559
2-[2-[(2,4-difluorophenyl)methoxy]-4-fluorophenyl]-1H-benzimidazole
CID 168553877
3-(1H-benzimidazol-2-yl)-6-fluoroquinolin-4-amine
CID 68765479
6-(1H-benzimidazol-2-yl)-2,3-difluoroaniline
CID 168555282
2-(2-fluoro-4-methoxyphenyl)-1H-benzimidazole
CID 83402422
3-(1H-benzimidazol-2-yl)-5-fluoro-1H-indazole
CID 135820247
2-(2,4-dimethylphenyl)-1H-benzimidazole
CID 17010591
2-(1H-benzimidazol-2-yl)-5-fluoro-4-(trifluoromethyl)phenol
CID 168555704
2-(2-chloro-4-phenylphenyl)-1H-benzimidazole
CID 168554361
2-phenanthren-9-yl-1H-benzimidazole
CID 102492769
2,6-bis(1H-benzimidazol-2-yl)-4-[3,5-bis(1H-benzimidazol-2-yl)-4-hydroxyphenyl]phenol
CID 139797671

Frequently Asked Questions

What is the IUPAC name of [2-(1H-benzimidazol-2-yl)-5-fluorophenyl]-trifluoroboranuide?
The IUPAC name of [2-(1H-benzimidazol-2-yl)-5-fluorophenyl]-trifluoroboranuide (CID 168555826) is [2-(1H-benzimidazol-2-yl)-5-fluorophenyl]-trifluoroboranuide.
What is the SMILES notation for [2-(1H-benzimidazol-2-yl)-5-fluorophenyl]-trifluoroboranuide?
The canonical SMILES for [2-(1H-benzimidazol-2-yl)-5-fluorophenyl]-trifluoroboranuide is Fc1ccc(-c2nc3ccccc3[nH]2)c([B-](F)(F)F)c1.
What is the InChIKey of [2-(1H-benzimidazol-2-yl)-5-fluorophenyl]-trifluoroboranuide?
The InChIKey is GGAYVPUPWDDAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BF4N2/c15-8-5-6-9(10(7-8)14(16,17)18)13-19-11-3-1-2-4-12(11)20-13/h1-7H,(H,19,20)/q-1.
What are the key properties of [2-(1H-benzimidazol-2-yl)-5-fluorophenyl]-trifluoroboranuide?
[2-(1H-benzimidazol-2-yl)-5-fluorophenyl]-trifluoroboranuide has a molecular weight of 279.03 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-benzimidazol-2-yl)-5-fluorophenyl]-trifluoroboranuide is sourced from PubChem (CID 168555826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).