5-bromo-N-(1H-imidazol-2-yl)pentanamide

C8H12BrN3O — CID 107910080

IUPAC5-bromo-N-(1H-imidazol-2-yl)pentanamide
SMILESO=C(CCCCBr)Nc1ncc[nH]1
InChIInChI=1S/C8H12BrN3O/c9-4-2-1-3-7(13)12-8-10-5-6-11-8/h5-6H,1-4H2,(H2,10,11,12,13)
InChIKeyKOHSTSDFTKFMLV-UHFFFAOYSA-N
MW246.11 g/mol
LogP1.91
Rot. Bonds5

About 5-bromo-N-(1H-imidazol-2-yl)pentanamide

5-bromo-N-(1H-imidazol-2-yl)pentanamide (PubChem CID 107910080) has the molecular formula C8H12BrN3O and a molecular weight of 246.11 g/mol. Its IUPAC name is 5-bromo-N-(1H-imidazol-2-yl)pentanamide.

Molecular Properties

Compound Name5-bromo-N-(1H-imidazol-2-yl)pentanamide
PubChem CID107910080
Molecular FormulaC8H12BrN3O
Molecular Weight246.11 g/mol
Exact Mass245.02
IUPAC Name5-bromo-N-(1H-imidazol-2-yl)pentanamide
SMILESO=C(CCCCBr)Nc1ncc[nH]1
InChIInChI=1S/C8H12BrN3O/c9-4-2-1-3-7(13)12-8-10-5-6-11-8/h5-6H,1-4H2,(H2,10,11,12,13)
InChIKeyKOHSTSDFTKFMLV-UHFFFAOYSA-N
XLogP1.91
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.11
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(Z)-4-amino-N-(1H-imidazol-2-yl)-2-methylbut-2-enamide
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1H-imidazol-2-yl)pentanamide?
The IUPAC name of 5-bromo-N-(1H-imidazol-2-yl)pentanamide (CID 107910080) is 5-bromo-N-(1H-imidazol-2-yl)pentanamide.
What is the SMILES notation for 5-bromo-N-(1H-imidazol-2-yl)pentanamide?
The canonical SMILES for 5-bromo-N-(1H-imidazol-2-yl)pentanamide is O=C(CCCCBr)Nc1ncc[nH]1.
What is the InChIKey of 5-bromo-N-(1H-imidazol-2-yl)pentanamide?
The InChIKey is KOHSTSDFTKFMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3O/c9-4-2-1-3-7(13)12-8-10-5-6-11-8/h5-6H,1-4H2,(H2,10,11,12,13).
What are the key properties of 5-bromo-N-(1H-imidazol-2-yl)pentanamide?
5-bromo-N-(1H-imidazol-2-yl)pentanamide has a molecular weight of 246.11 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1H-imidazol-2-yl)pentanamide is sourced from PubChem (CID 107910080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).