3-(5-hydroxypentyl)-1H-imidazol-2-one

C8H14N2O2 — CID 107319623

IUPAC3-(5-hydroxypentyl)-1H-imidazol-2-one
SMILESO=c1[nH]ccn1CCCCCO
InChIInChI=1S/C8H14N2O2/c11-7-3-1-2-5-10-6-4-9-8(10)12/h4,6,11H,1-3,5,7H2,(H,9,12)
InChIKeyQYBDNSZXEHQKQV-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.34
Rot. Bonds5

About 3-(5-hydroxypentyl)-1H-imidazol-2-one

3-(5-hydroxypentyl)-1H-imidazol-2-one (PubChem CID 107319623) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 3-(5-hydroxypentyl)-1H-imidazol-2-one.

Molecular Properties

Compound Name3-(5-hydroxypentyl)-1H-imidazol-2-one
PubChem CID107319623
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name3-(5-hydroxypentyl)-1H-imidazol-2-one
SMILESO=c1[nH]ccn1CCCCCO
InChIInChI=1S/C8H14N2O2/c11-7-3-1-2-5-10-6-4-9-8(10)12/h4,6,11H,1-3,5,7H2,(H,9,12)
InChIKeyQYBDNSZXEHQKQV-UHFFFAOYSA-N
XLogP0.34
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 3-(5-hydroxypentyl)-1H-imidazol-2-one?
The IUPAC name of 3-(5-hydroxypentyl)-1H-imidazol-2-one (CID 107319623) is 3-(5-hydroxypentyl)-1H-imidazol-2-one.
What is the SMILES notation for 3-(5-hydroxypentyl)-1H-imidazol-2-one?
The canonical SMILES for 3-(5-hydroxypentyl)-1H-imidazol-2-one is O=c1[nH]ccn1CCCCCO.
What is the InChIKey of 3-(5-hydroxypentyl)-1H-imidazol-2-one?
The InChIKey is QYBDNSZXEHQKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c11-7-3-1-2-5-10-6-4-9-8(10)12/h4,6,11H,1-3,5,7H2,(H,9,12).
What are the key properties of 3-(5-hydroxypentyl)-1H-imidazol-2-one?
3-(5-hydroxypentyl)-1H-imidazol-2-one has a molecular weight of 170.21 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-hydroxypentyl)-1H-imidazol-2-one is sourced from PubChem (CID 107319623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).