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

C5H5BrCl2N4O — CID 2778893

IUPAC2-(2-bromo-4,5-dichloroimidazol-1-yl)acetohydrazide
SMILESNNC(=O)Cn1c(Br)nc(Cl)c1Cl
InChIInChI=1S/C5H5BrCl2N4O/c6-5-10-3(7)4(8)12(5)1-2(13)11-9/h1,9H2,(H,11,13)
InChIKeyCLSJRUKRVVIGBT-UHFFFAOYSA-N
MW287.93 g/mol
LogP0.94
Rot. Bonds2

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

2-(2-bromo-4,5-dichloroimidazol-1-yl)acetohydrazide (PubChem CID 2778893) has the molecular formula C5H5BrCl2N4O and a molecular weight of 287.93 g/mol. Its IUPAC name is 2-(2-bromo-4,5-dichloroimidazol-1-yl)acetohydrazide.

Molecular Properties

Compound Name2-(2-bromo-4,5-dichloroimidazol-1-yl)acetohydrazide
PubChem CID2778893
Molecular FormulaC5H5BrCl2N4O
Molecular Weight287.93 g/mol
Exact Mass285.90
IUPAC Name2-(2-bromo-4,5-dichloroimidazol-1-yl)acetohydrazide
SMILESNNC(=O)Cn1c(Br)nc(Cl)c1Cl
InChIInChI=1S/C5H5BrCl2N4O/c6-5-10-3(7)4(8)12(5)1-2(13)11-9/h1,9H2,(H,11,13)
InChIKeyCLSJRUKRVVIGBT-UHFFFAOYSA-N
XLogP0.94
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.93
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4,5-dichloroimidazol-1-yl)acetohydrazide?
The IUPAC name of 2-(2-bromo-4,5-dichloroimidazol-1-yl)acetohydrazide (CID 2778893) is 2-(2-bromo-4,5-dichloroimidazol-1-yl)acetohydrazide.
What is the SMILES notation for 2-(2-bromo-4,5-dichloroimidazol-1-yl)acetohydrazide?
The canonical SMILES for 2-(2-bromo-4,5-dichloroimidazol-1-yl)acetohydrazide is NNC(=O)Cn1c(Br)nc(Cl)c1Cl.
What is the InChIKey of 2-(2-bromo-4,5-dichloroimidazol-1-yl)acetohydrazide?
The InChIKey is CLSJRUKRVVIGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrCl2N4O/c6-5-10-3(7)4(8)12(5)1-2(13)11-9/h1,9H2,(H,11,13).
What are the key properties of 2-(2-bromo-4,5-dichloroimidazol-1-yl)acetohydrazide?
2-(2-bromo-4,5-dichloroimidazol-1-yl)acetohydrazide has a molecular weight of 287.93 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4,5-dichloroimidazol-1-yl)acetohydrazide is sourced from PubChem (CID 2778893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).