2,2,5,6-tetrafluoro-4,7-dimethylbenzimidazole

C9H6F4N2 — CID 67991292

IUPAC2,2,5,6-tetrafluoro-4,7-dimethylbenzimidazole
SMILESCc1c(F)c(F)c(C)c2c1=NC(F)(F)N=2
InChIInChI=1S/C9H6F4N2/c1-3-5(10)6(11)4(2)8-7(3)14-9(12,13)15-8/h1-2H3
InChIKeyZMZIIZOLWSFHPW-UHFFFAOYSA-N
MW218.15 g/mol
LogP1.38
Rot. Bonds

About 2,2,5,6-tetrafluoro-4,7-dimethylbenzimidazole

2,2,5,6-tetrafluoro-4,7-dimethylbenzimidazole (PubChem CID 67991292) has the molecular formula C9H6F4N2 and a molecular weight of 218.15 g/mol. Its IUPAC name is 2,2,5,6-tetrafluoro-4,7-dimethylbenzimidazole.

Molecular Properties

Compound Name2,2,5,6-tetrafluoro-4,7-dimethylbenzimidazole
PubChem CID67991292
Molecular FormulaC9H6F4N2
Molecular Weight218.15 g/mol
Exact Mass218.05
IUPAC Name2,2,5,6-tetrafluoro-4,7-dimethylbenzimidazole
SMILESCc1c(F)c(F)c(C)c2c1=NC(F)(F)N=2
InChIInChI=1S/C9H6F4N2/c1-3-5(10)6(11)4(2)8-7(3)14-9(12,13)15-8/h1-2H3
InChIKeyZMZIIZOLWSFHPW-UHFFFAOYSA-N
XLogP1.38
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.15
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,5,6-tetrafluoro-4,7-dimethylbenzimidazole?
The IUPAC name of 2,2,5,6-tetrafluoro-4,7-dimethylbenzimidazole (CID 67991292) is 2,2,5,6-tetrafluoro-4,7-dimethylbenzimidazole.
What is the SMILES notation for 2,2,5,6-tetrafluoro-4,7-dimethylbenzimidazole?
The canonical SMILES for 2,2,5,6-tetrafluoro-4,7-dimethylbenzimidazole is Cc1c(F)c(F)c(C)c2c1=NC(F)(F)N=2.
What is the InChIKey of 2,2,5,6-tetrafluoro-4,7-dimethylbenzimidazole?
The InChIKey is ZMZIIZOLWSFHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F4N2/c1-3-5(10)6(11)4(2)8-7(3)14-9(12,13)15-8/h1-2H3.
What are the key properties of 2,2,5,6-tetrafluoro-4,7-dimethylbenzimidazole?
2,2,5,6-tetrafluoro-4,7-dimethylbenzimidazole has a molecular weight of 218.15 g/mol, XLogP of 1.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,6-tetrafluoro-4,7-dimethylbenzimidazole is sourced from PubChem (CID 67991292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).