4-(1-benzofuran-3-yl)-3-methyl-1-propan-2-ylimidazolidin-2-one

C15H18N2O2 — CID 116983162

IUPAC4-(1-benzofuran-3-yl)-3-methyl-1-propan-2-ylimidazolidin-2-one
SMILESCC(C)N1CC(c2coc3ccccc23)N(C)C1=O
InChIInChI=1S/C15H18N2O2/c1-10(2)17-8-13(16(3)15(17)18)12-9-19-14-7-5-4-6-11(12)14/h4-7,9-10,13H,8H2,1-3H3
InChIKeyKSTYOYWCCDZQKY-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.25
Rot. Bonds2

About 4-(1-benzofuran-3-yl)-3-methyl-1-propan-2-ylimidazolidin-2-one

4-(1-benzofuran-3-yl)-3-methyl-1-propan-2-ylimidazolidin-2-one (PubChem CID 116983162) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-(1-benzofuran-3-yl)-3-methyl-1-propan-2-ylimidazolidin-2-one.

Molecular Properties

Compound Name4-(1-benzofuran-3-yl)-3-methyl-1-propan-2-ylimidazolidin-2-one
PubChem CID116983162
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name4-(1-benzofuran-3-yl)-3-methyl-1-propan-2-ylimidazolidin-2-one
SMILESCC(C)N1CC(c2coc3ccccc23)N(C)C1=O
InChIInChI=1S/C15H18N2O2/c1-10(2)17-8-13(16(3)15(17)18)12-9-19-14-7-5-4-6-11(12)14/h4-7,9-10,13H,8H2,1-3H3
InChIKeyKSTYOYWCCDZQKY-UHFFFAOYSA-N
XLogP3.25
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-3-yl)-3-methyl-1-propan-2-ylimidazolidin-2-one?
The IUPAC name of 4-(1-benzofuran-3-yl)-3-methyl-1-propan-2-ylimidazolidin-2-one (CID 116983162) is 4-(1-benzofuran-3-yl)-3-methyl-1-propan-2-ylimidazolidin-2-one.
What is the SMILES notation for 4-(1-benzofuran-3-yl)-3-methyl-1-propan-2-ylimidazolidin-2-one?
The canonical SMILES for 4-(1-benzofuran-3-yl)-3-methyl-1-propan-2-ylimidazolidin-2-one is CC(C)N1CC(c2coc3ccccc23)N(C)C1=O.
What is the InChIKey of 4-(1-benzofuran-3-yl)-3-methyl-1-propan-2-ylimidazolidin-2-one?
The InChIKey is KSTYOYWCCDZQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-10(2)17-8-13(16(3)15(17)18)12-9-19-14-7-5-4-6-11(12)14/h4-7,9-10,13H,8H2,1-3H3.
What are the key properties of 4-(1-benzofuran-3-yl)-3-methyl-1-propan-2-ylimidazolidin-2-one?
4-(1-benzofuran-3-yl)-3-methyl-1-propan-2-ylimidazolidin-2-one has a molecular weight of 258.32 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-3-yl)-3-methyl-1-propan-2-ylimidazolidin-2-one is sourced from PubChem (CID 116983162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).