potassium benzimidazol-1-ylmethyl(trifluoro)boranuide

C8H7BF3KN2 — CID 63702827

IUPACpotassium benzimidazol-1-ylmethyl(trifluoro)boranuide
SMILESF[B-](F)(F)Cn1cnc2ccccc21.[K+]
InChIInChI=1S/C8H7BF3N2.K/c10-9(11,12)5-14-6-13-7-3-1-2-4-8(7)14;/h1-4,6H,5H2;/q-1;+1
InChIKeyZGCATKVGONKQRY-UHFFFAOYSA-N
MW238.06 g/mol
LogP-0.57
Rot. Bonds2

About potassium benzimidazol-1-ylmethyl(trifluoro)boranuide

potassium benzimidazol-1-ylmethyl(trifluoro)boranuide (PubChem CID 63702827) has the molecular formula C8H7BF3KN2 and a molecular weight of 238.06 g/mol. Its IUPAC name is potassium benzimidazol-1-ylmethyl(trifluoro)boranuide.

Molecular Properties

Compound Namepotassium benzimidazol-1-ylmethyl(trifluoro)boranuide
PubChem CID63702827
Molecular FormulaC8H7BF3KN2
Molecular Weight238.06 g/mol
Exact Mass238.03
IUPAC Namepotassium benzimidazol-1-ylmethyl(trifluoro)boranuide
SMILESF[B-](F)(F)Cn1cnc2ccccc21.[K+]
InChIInChI=1S/C8H7BF3N2.K/c10-9(11,12)5-14-6-13-7-3-1-2-4-8(7)14;/h1-4,6H,5H2;/q-1;+1
InChIKeyZGCATKVGONKQRY-UHFFFAOYSA-N
XLogP-0.57
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.06
LogP ≤ 5-0.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze potassium benzimidazol-1-ylmethyl(trifluoro)boranuide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of potassium benzimidazol-1-ylmethyl(trifluoro)boranuide?
The IUPAC name of potassium benzimidazol-1-ylmethyl(trifluoro)boranuide (CID 63702827) is potassium benzimidazol-1-ylmethyl(trifluoro)boranuide.
What is the SMILES notation for potassium benzimidazol-1-ylmethyl(trifluoro)boranuide?
The canonical SMILES for potassium benzimidazol-1-ylmethyl(trifluoro)boranuide is F[B-](F)(F)Cn1cnc2ccccc21.[K+].
What is the InChIKey of potassium benzimidazol-1-ylmethyl(trifluoro)boranuide?
The InChIKey is ZGCATKVGONKQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BF3N2.K/c10-9(11,12)5-14-6-13-7-3-1-2-4-8(7)14;/h1-4,6H,5H2;/q-1;+1.
What are the key properties of potassium benzimidazol-1-ylmethyl(trifluoro)boranuide?
potassium benzimidazol-1-ylmethyl(trifluoro)boranuide has a molecular weight of 238.06 g/mol, XLogP of -0.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium benzimidazol-1-ylmethyl(trifluoro)boranuide is sourced from PubChem (CID 63702827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).