3-(5,6-difluorobenzimidazol-1-yl)-2-methylpropanehydrazide

C11H12F2N4O — CID 63577776

IUPAC3-(5,6-difluorobenzimidazol-1-yl)-2-methylpropanehydrazide
SMILESCC(Cn1cnc2cc(F)c(F)cc21)C(=O)NN
InChIInChI=1S/C11H12F2N4O/c1-6(11(18)16-14)4-17-5-15-9-2-7(12)8(13)3-10(9)17/h2-3,5-6H,4,14H2,1H3,(H,16,18)
InChIKeyJYSKZAFCGDQVOY-UHFFFAOYSA-N
MW254.24 g/mol
LogP0.94
Rot. Bonds3

About 3-(5,6-difluorobenzimidazol-1-yl)-2-methylpropanehydrazide

3-(5,6-difluorobenzimidazol-1-yl)-2-methylpropanehydrazide (PubChem CID 63577776) has the molecular formula C11H12F2N4O and a molecular weight of 254.24 g/mol. Its IUPAC name is 3-(5,6-difluorobenzimidazol-1-yl)-2-methylpropanehydrazide.

Molecular Properties

Compound Name3-(5,6-difluorobenzimidazol-1-yl)-2-methylpropanehydrazide
PubChem CID63577776
Molecular FormulaC11H12F2N4O
Molecular Weight254.24 g/mol
Exact Mass254.10
IUPAC Name3-(5,6-difluorobenzimidazol-1-yl)-2-methylpropanehydrazide
SMILESCC(Cn1cnc2cc(F)c(F)cc21)C(=O)NN
InChIInChI=1S/C11H12F2N4O/c1-6(11(18)16-14)4-17-5-15-9-2-7(12)8(13)3-10(9)17/h2-3,5-6H,4,14H2,1H3,(H,16,18)
InChIKeyJYSKZAFCGDQVOY-UHFFFAOYSA-N
XLogP0.94
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-(5,6-difluorobenzimidazol-1-yl)-2-methylpropanehydrazide 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 3-(5,6-difluorobenzimidazol-1-yl)-2-methylpropanehydrazide?
The IUPAC name of 3-(5,6-difluorobenzimidazol-1-yl)-2-methylpropanehydrazide (CID 63577776) is 3-(5,6-difluorobenzimidazol-1-yl)-2-methylpropanehydrazide.
What is the SMILES notation for 3-(5,6-difluorobenzimidazol-1-yl)-2-methylpropanehydrazide?
The canonical SMILES for 3-(5,6-difluorobenzimidazol-1-yl)-2-methylpropanehydrazide is CC(Cn1cnc2cc(F)c(F)cc21)C(=O)NN.
What is the InChIKey of 3-(5,6-difluorobenzimidazol-1-yl)-2-methylpropanehydrazide?
The InChIKey is JYSKZAFCGDQVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N4O/c1-6(11(18)16-14)4-17-5-15-9-2-7(12)8(13)3-10(9)17/h2-3,5-6H,4,14H2,1H3,(H,16,18).
What are the key properties of 3-(5,6-difluorobenzimidazol-1-yl)-2-methylpropanehydrazide?
3-(5,6-difluorobenzimidazol-1-yl)-2-methylpropanehydrazide has a molecular weight of 254.24 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-difluorobenzimidazol-1-yl)-2-methylpropanehydrazide is sourced from PubChem (CID 63577776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).