1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazolidine-2,4-dione

C13H14N2O3 — CID 66391953

IUPAC1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazolidine-2,4-dione
SMILESCc1ccc2c(c1)CC(CN1CC(=O)NC1=O)O2
InChIInChI=1S/C13H14N2O3/c1-8-2-3-11-9(4-8)5-10(18-11)6-15-7-12(16)14-13(15)17/h2-4,10H,5-7H2,1H3,(H,14,16,17)
InChIKeyXILDTBLGUJWGJO-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.85
Rot. Bonds2

About 1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazolidine-2,4-dione

1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 66391953) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazolidine-2,4-dione
PubChem CID66391953
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazolidine-2,4-dione
SMILESCc1ccc2c(c1)CC(CN1CC(=O)NC1=O)O2
InChIInChI=1S/C13H14N2O3/c1-8-2-3-11-9(4-8)5-10(18-11)6-15-7-12(16)14-13(15)17/h2-4,10H,5-7H2,1H3,(H,14,16,17)
InChIKeyXILDTBLGUJWGJO-UHFFFAOYSA-N
XLogP0.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperazin-2-one
CID 66360874
5,5-dimethyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazolidine-2,4-dione
CID 66391954
1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]azetidin-3-amine
CID 66360837
(2R)-2-(methoxymethyl)-5-methyl-2,3-dihydro-1-benzofuran
CID 58740913
4,5-dichloro-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyridazin-3-one
CID 114386479
3-ethyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]azetidin-3-amine
CID 66392147
[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-4-yl]methanamine
CID 66361908
1-ethyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrimidine-2,4-dione
CID 66392540
1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dihydroindol-5-amine
CID 66362726
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3,3-dimethylpiperazine-2,5-dione
CID 64968946
2-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)ethanol
CID 117200722
7-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1,4-diazepane
CID 66392360

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazolidine-2,4-dione (CID 66391953) is 1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazolidine-2,4-dione is Cc1ccc2c(c1)CC(CN1CC(=O)NC1=O)O2.
What is the InChIKey of 1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is XILDTBLGUJWGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-8-2-3-11-9(4-8)5-10(18-11)6-15-7-12(16)14-13(15)17/h2-4,10H,5-7H2,1H3,(H,14,16,17).
What are the key properties of 1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazolidine-2,4-dione?
1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 246.27 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 66391953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).