4-hydroxy-5-[2-(1H-imidazol-2-yl)ethyl]-1,3-dihydroimidazol-2-one

C8H10N4O2 — CID 91433267

IUPAC4-hydroxy-5-[2-(1H-imidazol-2-yl)ethyl]-1,3-dihydroimidazol-2-one
SMILESO=c1[nH]c(O)c(CCc2ncc[nH]2)[nH]1
InChIInChI=1S/C8H10N4O2/c13-7-5(11-8(14)12-7)1-2-6-9-3-4-10-6/h3-4,13H,1-2H2,(H,9,10)(H2,11,12,14)
InChIKeyZRQAIBVCSXAIKC-UHFFFAOYSA-N
MW194.19 g/mol
LogP-0.08
Rot. Bonds3

About 4-hydroxy-5-[2-(1H-imidazol-2-yl)ethyl]-1,3-dihydroimidazol-2-one

4-hydroxy-5-[2-(1H-imidazol-2-yl)ethyl]-1,3-dihydroimidazol-2-one (PubChem CID 91433267) has the molecular formula C8H10N4O2 and a molecular weight of 194.19 g/mol. Its IUPAC name is 4-hydroxy-5-[2-(1H-imidazol-2-yl)ethyl]-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-hydroxy-5-[2-(1H-imidazol-2-yl)ethyl]-1,3-dihydroimidazol-2-one
PubChem CID91433267
Molecular FormulaC8H10N4O2
Molecular Weight194.19 g/mol
Exact Mass194.08
IUPAC Name4-hydroxy-5-[2-(1H-imidazol-2-yl)ethyl]-1,3-dihydroimidazol-2-one
SMILESO=c1[nH]c(O)c(CCc2ncc[nH]2)[nH]1
InChIInChI=1S/C8H10N4O2/c13-7-5(11-8(14)12-7)1-2-6-9-3-4-10-6/h3-4,13H,1-2H2,(H,9,10)(H2,11,12,14)
InChIKeyZRQAIBVCSXAIKC-UHFFFAOYSA-N
XLogP-0.08
TPSA97.56 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 5-0.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-[2-(1H-imidazol-2-yl)ethyl]-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-hydroxy-5-[2-(1H-imidazol-2-yl)ethyl]-1,3-dihydroimidazol-2-one (CID 91433267) is 4-hydroxy-5-[2-(1H-imidazol-2-yl)ethyl]-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-hydroxy-5-[2-(1H-imidazol-2-yl)ethyl]-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-hydroxy-5-[2-(1H-imidazol-2-yl)ethyl]-1,3-dihydroimidazol-2-one is O=c1[nH]c(O)c(CCc2ncc[nH]2)[nH]1.
What is the InChIKey of 4-hydroxy-5-[2-(1H-imidazol-2-yl)ethyl]-1,3-dihydroimidazol-2-one?
The InChIKey is ZRQAIBVCSXAIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2/c13-7-5(11-8(14)12-7)1-2-6-9-3-4-10-6/h3-4,13H,1-2H2,(H,9,10)(H2,11,12,14).
What are the key properties of 4-hydroxy-5-[2-(1H-imidazol-2-yl)ethyl]-1,3-dihydroimidazol-2-one?
4-hydroxy-5-[2-(1H-imidazol-2-yl)ethyl]-1,3-dihydroimidazol-2-one has a molecular weight of 194.19 g/mol, XLogP of -0.08, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-[2-(1H-imidazol-2-yl)ethyl]-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 91433267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).