1,3-dimethyl-5-(2,2,3,3-tetrafluoro-1-hydroxypropyl)benzimidazol-2-one

C12H12F4N2O2 — CID 79660272

IUPAC1,3-dimethyl-5-(2,2,3,3-tetrafluoro-1-hydroxypropyl)benzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(C(O)C(F)(F)C(F)F)ccc21
InChIInChI=1S/C12H12F4N2O2/c1-17-7-4-3-6(5-8(7)18(2)11(17)20)9(19)12(15,16)10(13)14/h3-5,9-10,19H,1-2H3
InChIKeyGLRJXXWMZKRVNQ-UHFFFAOYSA-N
MW292.23 g/mol
LogP1.81
Rot. Bonds3

About 1,3-dimethyl-5-(2,2,3,3-tetrafluoro-1-hydroxypropyl)benzimidazol-2-one

1,3-dimethyl-5-(2,2,3,3-tetrafluoro-1-hydroxypropyl)benzimidazol-2-one (PubChem CID 79660272) has the molecular formula C12H12F4N2O2 and a molecular weight of 292.23 g/mol. Its IUPAC name is 1,3-dimethyl-5-(2,2,3,3-tetrafluoro-1-hydroxypropyl)benzimidazol-2-one.

Molecular Properties

Compound Name1,3-dimethyl-5-(2,2,3,3-tetrafluoro-1-hydroxypropyl)benzimidazol-2-one
PubChem CID79660272
Molecular FormulaC12H12F4N2O2
Molecular Weight292.23 g/mol
Exact Mass292.08
IUPAC Name1,3-dimethyl-5-(2,2,3,3-tetrafluoro-1-hydroxypropyl)benzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(C(O)C(F)(F)C(F)F)ccc21
InChIInChI=1S/C12H12F4N2O2/c1-17-7-4-3-6(5-8(7)18(2)11(17)20)9(19)12(15,16)10(13)14/h3-5,9-10,19H,1-2H3
InChIKeyGLRJXXWMZKRVNQ-UHFFFAOYSA-N
XLogP1.81
TPSA47.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.23
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1,3-dimethyl-5-(2,2,3,3-tetrafluoro-1-hydroxypropyl)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 1,3-dimethyl-5-(2,2,3,3-tetrafluoro-1-hydroxypropyl)benzimidazol-2-one?
The IUPAC name of 1,3-dimethyl-5-(2,2,3,3-tetrafluoro-1-hydroxypropyl)benzimidazol-2-one (CID 79660272) is 1,3-dimethyl-5-(2,2,3,3-tetrafluoro-1-hydroxypropyl)benzimidazol-2-one.
What is the SMILES notation for 1,3-dimethyl-5-(2,2,3,3-tetrafluoro-1-hydroxypropyl)benzimidazol-2-one?
The canonical SMILES for 1,3-dimethyl-5-(2,2,3,3-tetrafluoro-1-hydroxypropyl)benzimidazol-2-one is Cn1c(=O)n(C)c2cc(C(O)C(F)(F)C(F)F)ccc21.
What is the InChIKey of 1,3-dimethyl-5-(2,2,3,3-tetrafluoro-1-hydroxypropyl)benzimidazol-2-one?
The InChIKey is GLRJXXWMZKRVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F4N2O2/c1-17-7-4-3-6(5-8(7)18(2)11(17)20)9(19)12(15,16)10(13)14/h3-5,9-10,19H,1-2H3.
What are the key properties of 1,3-dimethyl-5-(2,2,3,3-tetrafluoro-1-hydroxypropyl)benzimidazol-2-one?
1,3-dimethyl-5-(2,2,3,3-tetrafluoro-1-hydroxypropyl)benzimidazol-2-one has a molecular weight of 292.23 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(2,2,3,3-tetrafluoro-1-hydroxypropyl)benzimidazol-2-one is sourced from PubChem (CID 79660272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).