2-(4,5-dichloroimidazol-1-yl)acetohydrazide

C5H6Cl2N4O — CID 2778465

IUPAC2-(4,5-dichloroimidazol-1-yl)acetohydrazide
SMILESNNC(=O)Cn1cnc(Cl)c1Cl
InChIInChI=1S/C5H6Cl2N4O/c6-4-5(7)11(2-9-4)1-3(12)10-8/h2H,1,8H2,(H,10,12)
InChIKeyRZLSBIKQOCNNMQ-UHFFFAOYSA-N
MW209.04 g/mol
LogP0.18
Rot. Bonds2

About 2-(4,5-dichloroimidazol-1-yl)acetohydrazide

2-(4,5-dichloroimidazol-1-yl)acetohydrazide (PubChem CID 2778465) has the molecular formula C5H6Cl2N4O and a molecular weight of 209.04 g/mol. Its IUPAC name is 2-(4,5-dichloroimidazol-1-yl)acetohydrazide.

Molecular Properties

Compound Name2-(4,5-dichloroimidazol-1-yl)acetohydrazide
PubChem CID2778465
Molecular FormulaC5H6Cl2N4O
Molecular Weight209.04 g/mol
Exact Mass207.99
IUPAC Name2-(4,5-dichloroimidazol-1-yl)acetohydrazide
SMILESNNC(=O)Cn1cnc(Cl)c1Cl
InChIInChI=1S/C5H6Cl2N4O/c6-4-5(7)11(2-9-4)1-3(12)10-8/h2H,1,8H2,(H,10,12)
InChIKeyRZLSBIKQOCNNMQ-UHFFFAOYSA-N
XLogP0.18
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.04
LogP ≤ 50.18
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dichloroimidazol-1-yl)acetohydrazide?
The IUPAC name of 2-(4,5-dichloroimidazol-1-yl)acetohydrazide (CID 2778465) is 2-(4,5-dichloroimidazol-1-yl)acetohydrazide.
What is the SMILES notation for 2-(4,5-dichloroimidazol-1-yl)acetohydrazide?
The canonical SMILES for 2-(4,5-dichloroimidazol-1-yl)acetohydrazide is NNC(=O)Cn1cnc(Cl)c1Cl.
What is the InChIKey of 2-(4,5-dichloroimidazol-1-yl)acetohydrazide?
The InChIKey is RZLSBIKQOCNNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6Cl2N4O/c6-4-5(7)11(2-9-4)1-3(12)10-8/h2H,1,8H2,(H,10,12).
What are the key properties of 2-(4,5-dichloroimidazol-1-yl)acetohydrazide?
2-(4,5-dichloroimidazol-1-yl)acetohydrazide has a molecular weight of 209.04 g/mol, XLogP of 0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dichloroimidazol-1-yl)acetohydrazide is sourced from PubChem (CID 2778465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).