5-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]-1-benzofuran-2-carboxylic acid

C14H14N2O4 — CID 65295104

IUPAC5-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]-1-benzofuran-2-carboxylic acid
SMILESCN1CCN(Cc2ccc3oc(C(=O)O)cc3c2)C1=O
InChIInChI=1S/C14H14N2O4/c1-15-4-5-16(14(15)19)8-9-2-3-11-10(6-9)7-12(20-11)13(17)18/h2-3,6-7H,4-5,8H2,1H3,(H,17,18)
InChIKeyQGLFLSSXFQSIOD-UHFFFAOYSA-N
MW274.28 g/mol
LogP2.00
Rot. Bonds3

About 5-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]-1-benzofuran-2-carboxylic acid

5-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]-1-benzofuran-2-carboxylic acid (PubChem CID 65295104) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 5-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]-1-benzofuran-2-carboxylic acid
PubChem CID65295104
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name5-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]-1-benzofuran-2-carboxylic acid
SMILESCN1CCN(Cc2ccc3oc(C(=O)O)cc3c2)C1=O
InChIInChI=1S/C14H14N2O4/c1-15-4-5-16(14(15)19)8-9-2-3-11-10(6-9)7-12(20-11)13(17)18/h2-3,6-7H,4-5,8H2,1H3,(H,17,18)
InChIKeyQGLFLSSXFQSIOD-UHFFFAOYSA-N
XLogP2.00
TPSA73.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3,5-dimethylpiperidin-1-yl)methyl]-1-benzofuran-2-carboxylic acid
CID 65295449
5-[(2,6-dimethylpiperidin-1-yl)methyl]-1-benzofuran-2-carboxylic acid
CID 65295059
5-[(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)methyl]-1-benzofuran-2-carboxylic acid
CID 65295252
5-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-benzofuran-2-carboxylic acid
CID 65295006
5-[(2,4-dioxopyrimidin-1-yl)methyl]-1-benzofuran-2-carboxylic acid
CID 65293989
5-[(3-ethylmorpholin-4-yl)methyl]-1-benzofuran-2-carboxylic acid
CID 65295011
5-[(4-iodopyrazol-1-yl)methyl]-1-benzofuran-2-carboxylic acid
CID 65295301
5-[(methoxyamino)methyl]-1-benzofuran-2-carboxylic acid
CID 103254337
5-(propan-2-ylsulfonylmethyl)-1-benzofuran-2-carboxylic acid
CID 65293801
5-[(4-carbamoylpyrazol-1-yl)methyl]-1-benzofuran-2-carboxylic acid
CID 65295105
5-[(4-bromopyrazol-1-yl)methyl]-1-benzofuran-2-carboxylic acid
CID 65293378
5-[(2-ethoxy-2-oxoethyl)sulfanylmethyl]-1-benzofuran-2-carboxylic acid
CID 65293419

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]-1-benzofuran-2-carboxylic acid?
The IUPAC name of 5-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]-1-benzofuran-2-carboxylic acid (CID 65295104) is 5-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 5-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 5-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]-1-benzofuran-2-carboxylic acid is CN1CCN(Cc2ccc3oc(C(=O)O)cc3c2)C1=O.
What is the InChIKey of 5-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]-1-benzofuran-2-carboxylic acid?
The InChIKey is QGLFLSSXFQSIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-15-4-5-16(14(15)19)8-9-2-3-11-10(6-9)7-12(20-11)13(17)18/h2-3,6-7H,4-5,8H2,1H3,(H,17,18).
What are the key properties of 5-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]-1-benzofuran-2-carboxylic acid?
5-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]-1-benzofuran-2-carboxylic acid has a molecular weight of 274.28 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 65295104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).