5-hydroxy-3-(2-hydroxybutyl)-1H-imidazol-2-one

C7H12N2O3 — CID 91456565

IUPAC5-hydroxy-3-(2-hydroxybutyl)-1H-imidazol-2-one
SMILESCCC(O)Cn1cc(O)[nH]c1=O
InChIInChI=1S/C7H12N2O3/c1-2-5(10)3-9-4-6(11)8-7(9)12/h4-5,10-11H,2-3H2,1H3,(H,8,12)
InChIKeyQAPLOMHRAXEGSV-UHFFFAOYSA-N
MW172.18 g/mol
LogP-0.35
Rot. Bonds3

About 5-hydroxy-3-(2-hydroxybutyl)-1H-imidazol-2-one

5-hydroxy-3-(2-hydroxybutyl)-1H-imidazol-2-one (PubChem CID 91456565) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is 5-hydroxy-3-(2-hydroxybutyl)-1H-imidazol-2-one.

Molecular Properties

Compound Name5-hydroxy-3-(2-hydroxybutyl)-1H-imidazol-2-one
PubChem CID91456565
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name5-hydroxy-3-(2-hydroxybutyl)-1H-imidazol-2-one
SMILESCCC(O)Cn1cc(O)[nH]c1=O
InChIInChI=1S/C7H12N2O3/c1-2-5(10)3-9-4-6(11)8-7(9)12/h4-5,10-11H,2-3H2,1H3,(H,8,12)
InChIKeyQAPLOMHRAXEGSV-UHFFFAOYSA-N
XLogP-0.35
TPSA78.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3-(2-hydroxybutyl)-1H-imidazol-2-one?
The IUPAC name of 5-hydroxy-3-(2-hydroxybutyl)-1H-imidazol-2-one (CID 91456565) is 5-hydroxy-3-(2-hydroxybutyl)-1H-imidazol-2-one.
What is the SMILES notation for 5-hydroxy-3-(2-hydroxybutyl)-1H-imidazol-2-one?
The canonical SMILES for 5-hydroxy-3-(2-hydroxybutyl)-1H-imidazol-2-one is CCC(O)Cn1cc(O)[nH]c1=O.
What is the InChIKey of 5-hydroxy-3-(2-hydroxybutyl)-1H-imidazol-2-one?
The InChIKey is QAPLOMHRAXEGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3/c1-2-5(10)3-9-4-6(11)8-7(9)12/h4-5,10-11H,2-3H2,1H3,(H,8,12).
What are the key properties of 5-hydroxy-3-(2-hydroxybutyl)-1H-imidazol-2-one?
5-hydroxy-3-(2-hydroxybutyl)-1H-imidazol-2-one has a molecular weight of 172.18 g/mol, XLogP of -0.35, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-(2-hydroxybutyl)-1H-imidazol-2-one is sourced from PubChem (CID 91456565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).