2-(3-hydroperoxypropyl)-4,5-dihydro-1H-imidazole

C6H12N2O2 — CID 173419263

IUPAC2-(3-hydroperoxypropyl)-4,5-dihydro-1H-imidazole
SMILESOOCCCC1=NCCN1
InChIInChI=1S/C6H12N2O2/c9-10-5-1-2-6-7-3-4-8-6/h9H,1-5H2,(H,7,8)
InChIKeyUNNSCBKBYIDNBF-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.26
Rot. Bonds4

About 2-(3-hydroperoxypropyl)-4,5-dihydro-1H-imidazole

2-(3-hydroperoxypropyl)-4,5-dihydro-1H-imidazole (PubChem CID 173419263) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is 2-(3-hydroperoxypropyl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-(3-hydroperoxypropyl)-4,5-dihydro-1H-imidazole
PubChem CID173419263
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name2-(3-hydroperoxypropyl)-4,5-dihydro-1H-imidazole
SMILESOOCCCC1=NCCN1
InChIInChI=1S/C6H12N2O2/c9-10-5-1-2-6-7-3-4-8-6/h9H,1-5H2,(H,7,8)
InChIKeyUNNSCBKBYIDNBF-UHFFFAOYSA-N
XLogP0.26
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroperoxypropyl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-(3-hydroperoxypropyl)-4,5-dihydro-1H-imidazole (CID 173419263) is 2-(3-hydroperoxypropyl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-(3-hydroperoxypropyl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-(3-hydroperoxypropyl)-4,5-dihydro-1H-imidazole is OOCCCC1=NCCN1.
What is the InChIKey of 2-(3-hydroperoxypropyl)-4,5-dihydro-1H-imidazole?
The InChIKey is UNNSCBKBYIDNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c9-10-5-1-2-6-7-3-4-8-6/h9H,1-5H2,(H,7,8).
What are the key properties of 2-(3-hydroperoxypropyl)-4,5-dihydro-1H-imidazole?
2-(3-hydroperoxypropyl)-4,5-dihydro-1H-imidazole has a molecular weight of 144.17 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroperoxypropyl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 173419263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).