5-(3-heptoxypropyl)-1H-imidazole

C13H24N2O — CID 11218373

IUPAC5-(3-heptoxypropyl)-1H-imidazole
SMILESCCCCCCCOCCCc1cnc[nH]1
InChIInChI=1S/C13H24N2O/c1-2-3-4-5-6-9-16-10-7-8-13-11-14-12-15-13/h11-12H,2-10H2,1H3,(H,14,15)
InChIKeyNPRIQOZQEZXRTH-UHFFFAOYSA-N
MW224.35 g/mol
LogP3.33
Rot. Bonds10

About 5-(3-heptoxypropyl)-1H-imidazole

5-(3-heptoxypropyl)-1H-imidazole (PubChem CID 11218373) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 5-(3-heptoxypropyl)-1H-imidazole.

Molecular Properties

Compound Name5-(3-heptoxypropyl)-1H-imidazole
PubChem CID11218373
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name5-(3-heptoxypropyl)-1H-imidazole
SMILESCCCCCCCOCCCc1cnc[nH]1
InChIInChI=1S/C13H24N2O/c1-2-3-4-5-6-9-16-10-7-8-13-11-14-12-15-13/h11-12H,2-10H2,1H3,(H,14,15)
InChIKeyNPRIQOZQEZXRTH-UHFFFAOYSA-N
XLogP3.33
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-heptoxypropyl)-1H-imidazole?
The IUPAC name of 5-(3-heptoxypropyl)-1H-imidazole (CID 11218373) is 5-(3-heptoxypropyl)-1H-imidazole.
What is the SMILES notation for 5-(3-heptoxypropyl)-1H-imidazole?
The canonical SMILES for 5-(3-heptoxypropyl)-1H-imidazole is CCCCCCCOCCCc1cnc[nH]1.
What is the InChIKey of 5-(3-heptoxypropyl)-1H-imidazole?
The InChIKey is NPRIQOZQEZXRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-2-3-4-5-6-9-16-10-7-8-13-11-14-12-15-13/h11-12H,2-10H2,1H3,(H,14,15).
What are the key properties of 5-(3-heptoxypropyl)-1H-imidazole?
5-(3-heptoxypropyl)-1H-imidazole has a molecular weight of 224.35 g/mol, XLogP of 3.33, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-heptoxypropyl)-1H-imidazole is sourced from PubChem (CID 11218373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).