4,5-dihydroxy-3-(1-phenylethyl)-1H-imidazol-2-one

C11H12N2O3 — CID 91177320

IUPAC4,5-dihydroxy-3-(1-phenylethyl)-1H-imidazol-2-one
SMILESCC(c1ccccc1)n1c(O)c(O)[nH]c1=O
InChIInChI=1S/C11H12N2O3/c1-7(8-5-3-2-4-6-8)13-10(15)9(14)12-11(13)16/h2-7,14-15H,1H3,(H,12,16)
InChIKeyJICLDZIIEAHINZ-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.20
Rot. Bonds2

About 4,5-dihydroxy-3-(1-phenylethyl)-1H-imidazol-2-one

4,5-dihydroxy-3-(1-phenylethyl)-1H-imidazol-2-one (PubChem CID 91177320) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 4,5-dihydroxy-3-(1-phenylethyl)-1H-imidazol-2-one.

Molecular Properties

Compound Name4,5-dihydroxy-3-(1-phenylethyl)-1H-imidazol-2-one
PubChem CID91177320
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name4,5-dihydroxy-3-(1-phenylethyl)-1H-imidazol-2-one
SMILESCC(c1ccccc1)n1c(O)c(O)[nH]c1=O
InChIInChI=1S/C11H12N2O3/c1-7(8-5-3-2-4-6-8)13-10(15)9(14)12-11(13)16/h2-7,14-15H,1H3,(H,12,16)
InChIKeyJICLDZIIEAHINZ-UHFFFAOYSA-N
XLogP1.20
TPSA78.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydroxy-3-(1-phenylethyl)-1H-imidazol-2-one?
The IUPAC name of 4,5-dihydroxy-3-(1-phenylethyl)-1H-imidazol-2-one (CID 91177320) is 4,5-dihydroxy-3-(1-phenylethyl)-1H-imidazol-2-one.
What is the SMILES notation for 4,5-dihydroxy-3-(1-phenylethyl)-1H-imidazol-2-one?
The canonical SMILES for 4,5-dihydroxy-3-(1-phenylethyl)-1H-imidazol-2-one is CC(c1ccccc1)n1c(O)c(O)[nH]c1=O.
What is the InChIKey of 4,5-dihydroxy-3-(1-phenylethyl)-1H-imidazol-2-one?
The InChIKey is JICLDZIIEAHINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-7(8-5-3-2-4-6-8)13-10(15)9(14)12-11(13)16/h2-7,14-15H,1H3,(H,12,16).
What are the key properties of 4,5-dihydroxy-3-(1-phenylethyl)-1H-imidazol-2-one?
4,5-dihydroxy-3-(1-phenylethyl)-1H-imidazol-2-one has a molecular weight of 220.23 g/mol, XLogP of 1.20, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydroxy-3-(1-phenylethyl)-1H-imidazol-2-one is sourced from PubChem (CID 91177320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).