4-hydroxy-3-(2-hydroxypropyl)-1H-imidazol-2-one

C6H10N2O3 — CID 54148736

IUPAC4-hydroxy-3-(2-hydroxypropyl)-1H-imidazol-2-one
SMILESCC(O)Cn1c(O)c[nH]c1=O
InChIInChI=1S/C6H10N2O3/c1-4(9)3-8-5(10)2-7-6(8)11/h2,4,9-10H,3H2,1H3,(H,7,11)
InChIKeyOGFVCOJHIMXXFL-UHFFFAOYSA-N
MW158.16 g/mol
LogP-0.74
Rot. Bonds2

About 4-hydroxy-3-(2-hydroxypropyl)-1H-imidazol-2-one

4-hydroxy-3-(2-hydroxypropyl)-1H-imidazol-2-one (PubChem CID 54148736) has the molecular formula C6H10N2O3 and a molecular weight of 158.16 g/mol. Its IUPAC name is 4-hydroxy-3-(2-hydroxypropyl)-1H-imidazol-2-one.

Molecular Properties

Compound Name4-hydroxy-3-(2-hydroxypropyl)-1H-imidazol-2-one
PubChem CID54148736
Molecular FormulaC6H10N2O3
Molecular Weight158.16 g/mol
Exact Mass158.07
IUPAC Name4-hydroxy-3-(2-hydroxypropyl)-1H-imidazol-2-one
SMILESCC(O)Cn1c(O)c[nH]c1=O
InChIInChI=1S/C6H10N2O3/c1-4(9)3-8-5(10)2-7-6(8)11/h2,4,9-10H,3H2,1H3,(H,7,11)
InChIKeyOGFVCOJHIMXXFL-UHFFFAOYSA-N
XLogP-0.74
TPSA78.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(2-hydroxypropyl)-1H-imidazol-2-one?
The IUPAC name of 4-hydroxy-3-(2-hydroxypropyl)-1H-imidazol-2-one (CID 54148736) is 4-hydroxy-3-(2-hydroxypropyl)-1H-imidazol-2-one.
What is the SMILES notation for 4-hydroxy-3-(2-hydroxypropyl)-1H-imidazol-2-one?
The canonical SMILES for 4-hydroxy-3-(2-hydroxypropyl)-1H-imidazol-2-one is CC(O)Cn1c(O)c[nH]c1=O.
What is the InChIKey of 4-hydroxy-3-(2-hydroxypropyl)-1H-imidazol-2-one?
The InChIKey is OGFVCOJHIMXXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O3/c1-4(9)3-8-5(10)2-7-6(8)11/h2,4,9-10H,3H2,1H3,(H,7,11).
What are the key properties of 4-hydroxy-3-(2-hydroxypropyl)-1H-imidazol-2-one?
4-hydroxy-3-(2-hydroxypropyl)-1H-imidazol-2-one has a molecular weight of 158.16 g/mol, XLogP of -0.74, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(2-hydroxypropyl)-1H-imidazol-2-one is sourced from PubChem (CID 54148736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).