1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]imidazolidin-2-one

C12H13BrN2O2 — CID 113443055

IUPAC1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]imidazolidin-2-one
SMILESO=C1NCCN1Cc1cc(Br)cc2c1OCC2
InChIInChI=1S/C12H13BrN2O2/c13-10-5-8-1-4-17-11(8)9(6-10)7-15-3-2-14-12(15)16/h5-6H,1-4,7H2,(H,14,16)
InChIKeyXVCHZTVMHISFRL-UHFFFAOYSA-N
MW297.15 g/mol
LogP1.91
Rot. Bonds2

About 1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]imidazolidin-2-one

1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]imidazolidin-2-one (PubChem CID 113443055) has the molecular formula C12H13BrN2O2 and a molecular weight of 297.15 g/mol. Its IUPAC name is 1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]imidazolidin-2-one
PubChem CID113443055
Molecular FormulaC12H13BrN2O2
Molecular Weight297.15 g/mol
Exact Mass296.02
IUPAC Name1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]imidazolidin-2-one
SMILESO=C1NCCN1Cc1cc(Br)cc2c1OCC2
InChIInChI=1S/C12H13BrN2O2/c13-10-5-8-1-4-17-11(8)9(6-10)7-15-3-2-14-12(15)16/h5-6H,1-4,7H2,(H,14,16)
InChIKeyXVCHZTVMHISFRL-UHFFFAOYSA-N
XLogP1.91
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]pyrrole-2,5-dione
CID 104702958
4-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]morpholine-3,5-dione
CID 113443048
1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-(propan-2-ylamino)pyrrolidin-2-one
CID 104703526
8-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-8-azabicyclo[3.2.1]octan-3-one
CID 104703493
2-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2,8-diazaspiro[4.5]decane
CID 120906747
1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-5-oxopiperazine-2-carboxylic acid
CID 107439665
(3aR,6aS)-5-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
CID 120660946
3-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-5,6-dichloropyrimidin-4-one
CID 114583050
1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-(chloromethyl)imidazole
CID 113403434
1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910164
1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-N-ethylpiperidin-4-amine
CID 104703007
1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2,5-dimethylpiperazine;hydrochloride
CID 120906008

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]imidazolidin-2-one?
The IUPAC name of 1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]imidazolidin-2-one (CID 113443055) is 1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]imidazolidin-2-one.
What is the SMILES notation for 1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]imidazolidin-2-one?
The canonical SMILES for 1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]imidazolidin-2-one is O=C1NCCN1Cc1cc(Br)cc2c1OCC2.
What is the InChIKey of 1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]imidazolidin-2-one?
The InChIKey is XVCHZTVMHISFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O2/c13-10-5-8-1-4-17-11(8)9(6-10)7-15-3-2-14-12(15)16/h5-6H,1-4,7H2,(H,14,16).
What are the key properties of 1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]imidazolidin-2-one?
1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]imidazolidin-2-one has a molecular weight of 297.15 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]imidazolidin-2-one is sourced from PubChem (CID 113443055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).