5-(trifluoromethyl)benzimidazol-2-one

C8H3F3N2O — CID 15027773

IUPAC5-(trifluoromethyl)benzimidazol-2-one
SMILESO=C1N=c2ccc(C(F)(F)F)cc2=N1
InChIInChI=1S/C8H3F3N2O/c9-8(10,11)4-1-2-5-6(3-4)13-7(14)12-5/h1-3H
InChIKeyJKYQUGGPUGFROF-UHFFFAOYSA-N
MW200.12 g/mol
LogP1.08
Rot. Bonds

About 5-(trifluoromethyl)benzimidazol-2-one

5-(trifluoromethyl)benzimidazol-2-one (PubChem CID 15027773) has the molecular formula C8H3F3N2O and a molecular weight of 200.12 g/mol. Its IUPAC name is 5-(trifluoromethyl)benzimidazol-2-one.

Molecular Properties

Compound Name5-(trifluoromethyl)benzimidazol-2-one
PubChem CID15027773
Molecular FormulaC8H3F3N2O
Molecular Weight200.12 g/mol
Exact Mass200.02
IUPAC Name5-(trifluoromethyl)benzimidazol-2-one
SMILESO=C1N=c2ccc(C(F)(F)F)cc2=N1
InChIInChI=1S/C8H3F3N2O/c9-8(10,11)4-1-2-5-6(3-4)13-7(14)12-5/h1-3H
InChIKeyJKYQUGGPUGFROF-UHFFFAOYSA-N
XLogP1.08
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.12
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-(trifluoromethyl)benzimidazol-2-one 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 5-(trifluoromethyl)benzimidazol-2-one?
The IUPAC name of 5-(trifluoromethyl)benzimidazol-2-one (CID 15027773) is 5-(trifluoromethyl)benzimidazol-2-one.
What is the SMILES notation for 5-(trifluoromethyl)benzimidazol-2-one?
The canonical SMILES for 5-(trifluoromethyl)benzimidazol-2-one is O=C1N=c2ccc(C(F)(F)F)cc2=N1.
What is the InChIKey of 5-(trifluoromethyl)benzimidazol-2-one?
The InChIKey is JKYQUGGPUGFROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F3N2O/c9-8(10,11)4-1-2-5-6(3-4)13-7(14)12-5/h1-3H.
What are the key properties of 5-(trifluoromethyl)benzimidazol-2-one?
5-(trifluoromethyl)benzimidazol-2-one has a molecular weight of 200.12 g/mol, XLogP of 1.08, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)benzimidazol-2-one is sourced from PubChem (CID 15027773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).