4,5-difluoro-3-propan-2-yl-1H-benzimidazol-2-one

C10H10F2N2O — CID 83418165

IUPAC4,5-difluoro-3-propan-2-yl-1H-benzimidazol-2-one
SMILESCC(C)n1c(=O)[nH]c2ccc(F)c(F)c21
InChIInChI=1S/C10H10F2N2O/c1-5(2)14-9-7(13-10(14)15)4-3-6(11)8(9)12/h3-5H,1-2H3,(H,13,15)
InChIKeyOWWXMEBCHRXXTH-UHFFFAOYSA-N
MW212.20 g/mol
LogP2.19
Rot. Bonds1

About 4,5-difluoro-3-propan-2-yl-1H-benzimidazol-2-one

4,5-difluoro-3-propan-2-yl-1H-benzimidazol-2-one (PubChem CID 83418165) has the molecular formula C10H10F2N2O and a molecular weight of 212.20 g/mol. Its IUPAC name is 4,5-difluoro-3-propan-2-yl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name4,5-difluoro-3-propan-2-yl-1H-benzimidazol-2-one
PubChem CID83418165
Molecular FormulaC10H10F2N2O
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Name4,5-difluoro-3-propan-2-yl-1H-benzimidazol-2-one
SMILESCC(C)n1c(=O)[nH]c2ccc(F)c(F)c21
InChIInChI=1S/C10H10F2N2O/c1-5(2)14-9-7(13-10(14)15)4-3-6(11)8(9)12/h3-5H,1-2H3,(H,13,15)
InChIKeyOWWXMEBCHRXXTH-UHFFFAOYSA-N
XLogP2.19
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4,5-difluoro-3-propan-2-yl-1H-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 4,5-difluoro-3-propan-2-yl-1H-benzimidazol-2-one?
The IUPAC name of 4,5-difluoro-3-propan-2-yl-1H-benzimidazol-2-one (CID 83418165) is 4,5-difluoro-3-propan-2-yl-1H-benzimidazol-2-one.
What is the SMILES notation for 4,5-difluoro-3-propan-2-yl-1H-benzimidazol-2-one?
The canonical SMILES for 4,5-difluoro-3-propan-2-yl-1H-benzimidazol-2-one is CC(C)n1c(=O)[nH]c2ccc(F)c(F)c21.
What is the InChIKey of 4,5-difluoro-3-propan-2-yl-1H-benzimidazol-2-one?
The InChIKey is OWWXMEBCHRXXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2O/c1-5(2)14-9-7(13-10(14)15)4-3-6(11)8(9)12/h3-5H,1-2H3,(H,13,15).
What are the key properties of 4,5-difluoro-3-propan-2-yl-1H-benzimidazol-2-one?
4,5-difluoro-3-propan-2-yl-1H-benzimidazol-2-one has a molecular weight of 212.20 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-3-propan-2-yl-1H-benzimidazol-2-one is sourced from PubChem (CID 83418165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).