3-(1-benzofuran-5-yl)-5-hydroxy-4-methyl-1H-imidazol-2-one

C12H10N2O3 — CID 91362252

IUPAC3-(1-benzofuran-5-yl)-5-hydroxy-4-methyl-1H-imidazol-2-one
SMILESCc1c(O)[nH]c(=O)n1-c1ccc2occc2c1
InChIInChI=1S/C12H10N2O3/c1-7-11(15)13-12(16)14(7)9-2-3-10-8(6-9)4-5-17-10/h2-6,15H,1H3,(H,13,16)
InChIKeyHXNCGVLZZLWNIT-UHFFFAOYSA-N
MW230.22 g/mol
LogP1.93
Rot. Bonds1

About 3-(1-benzofuran-5-yl)-5-hydroxy-4-methyl-1H-imidazol-2-one

3-(1-benzofuran-5-yl)-5-hydroxy-4-methyl-1H-imidazol-2-one (PubChem CID 91362252) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 3-(1-benzofuran-5-yl)-5-hydroxy-4-methyl-1H-imidazol-2-one.

Molecular Properties

Compound Name3-(1-benzofuran-5-yl)-5-hydroxy-4-methyl-1H-imidazol-2-one
PubChem CID91362252
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name3-(1-benzofuran-5-yl)-5-hydroxy-4-methyl-1H-imidazol-2-one
SMILESCc1c(O)[nH]c(=O)n1-c1ccc2occc2c1
InChIInChI=1S/C12H10N2O3/c1-7-11(15)13-12(16)14(7)9-2-3-10-8(6-9)4-5-17-10/h2-6,15H,1H3,(H,13,16)
InChIKeyHXNCGVLZZLWNIT-UHFFFAOYSA-N
XLogP1.93
TPSA71.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-5-yl)-5-hydroxy-4-methyl-1H-imidazol-2-one?
The IUPAC name of 3-(1-benzofuran-5-yl)-5-hydroxy-4-methyl-1H-imidazol-2-one (CID 91362252) is 3-(1-benzofuran-5-yl)-5-hydroxy-4-methyl-1H-imidazol-2-one.
What is the SMILES notation for 3-(1-benzofuran-5-yl)-5-hydroxy-4-methyl-1H-imidazol-2-one?
The canonical SMILES for 3-(1-benzofuran-5-yl)-5-hydroxy-4-methyl-1H-imidazol-2-one is Cc1c(O)[nH]c(=O)n1-c1ccc2occc2c1.
What is the InChIKey of 3-(1-benzofuran-5-yl)-5-hydroxy-4-methyl-1H-imidazol-2-one?
The InChIKey is HXNCGVLZZLWNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c1-7-11(15)13-12(16)14(7)9-2-3-10-8(6-9)4-5-17-10/h2-6,15H,1H3,(H,13,16).
What are the key properties of 3-(1-benzofuran-5-yl)-5-hydroxy-4-methyl-1H-imidazol-2-one?
3-(1-benzofuran-5-yl)-5-hydroxy-4-methyl-1H-imidazol-2-one has a molecular weight of 230.22 g/mol, XLogP of 1.93, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-5-yl)-5-hydroxy-4-methyl-1H-imidazol-2-one is sourced from PubChem (CID 91362252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).