(3R)-3'-[2-(3-methyl-1-benzofuran-2-yl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione

C22H18N2O4 — CID 41324950

IUPAC(3R)-3'-[2-(3-methyl-1-benzofuran-2-yl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
SMILESCc1c(C(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)oc2ccccc12
InChIInChI=1S/C22H18N2O4/c1-13-15-7-3-5-9-18(15)28-19(13)17(25)12-24-20(26)22(23-21(24)27)11-10-14-6-2-4-8-16(14)22/h2-9H,10-12H2,1H3,(H,23,27)/t22-/m1/s1
InChIKeyPLFQFDAPCZCSLI-JOCHJYFZSA-N
MW374.40 g/mol
LogP3.32
Rot. Bonds3

About (3R)-3'-[2-(3-methyl-1-benzofuran-2-yl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione

(3R)-3'-[2-(3-methyl-1-benzofuran-2-yl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione (PubChem CID 41324950) has the molecular formula C22H18N2O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is (3R)-3'-[2-(3-methyl-1-benzofuran-2-yl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name(3R)-3'-[2-(3-methyl-1-benzofuran-2-yl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
PubChem CID41324950
Molecular FormulaC22H18N2O4
Molecular Weight374.40 g/mol
Exact Mass374.13
IUPAC Name(3R)-3'-[2-(3-methyl-1-benzofuran-2-yl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
SMILESCc1c(C(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)oc2ccccc12
InChIInChI=1S/C22H18N2O4/c1-13-15-7-3-5-9-18(15)28-19(13)17(25)12-24-20(26)22(23-21(24)27)11-10-14-6-2-4-8-16(14)22/h2-9H,10-12H2,1H3,(H,23,27)/t22-/m1/s1
InChIKeyPLFQFDAPCZCSLI-JOCHJYFZSA-N
XLogP3.32
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3'-[2-(3-methyl-1-benzofuran-2-yl)-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 17473546
(4R)-3'-[2-(3-methyl-1-benzofuran-2-yl)-2-oxoethyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
CID 40855150
N'-[2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetyl]-3-methyl-1-benzofuran-2-carbohydrazide
CID 92534606
(3S)-3'-[2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 41144007
3'-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 4790868
(4S)-3'-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 2083944
3'-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 3927055
ethyl 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetate
CID 4679778
3'-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 18775236
3'-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 3582932
3'-[2-(2-methoxyphenyl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 18097549
3'-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 18075337

Frequently Asked Questions

What is the IUPAC name of (3R)-3'-[2-(3-methyl-1-benzofuran-2-yl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The IUPAC name of (3R)-3'-[2-(3-methyl-1-benzofuran-2-yl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione (CID 41324950) is (3R)-3'-[2-(3-methyl-1-benzofuran-2-yl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for (3R)-3'-[2-(3-methyl-1-benzofuran-2-yl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for (3R)-3'-[2-(3-methyl-1-benzofuran-2-yl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione is Cc1c(C(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)oc2ccccc12.
What is the InChIKey of (3R)-3'-[2-(3-methyl-1-benzofuran-2-yl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The InChIKey is PLFQFDAPCZCSLI-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H18N2O4/c1-13-15-7-3-5-9-18(15)28-19(13)17(25)12-24-20(26)22(23-21(24)27)11-10-14-6-2-4-8-16(14)22/h2-9H,10-12H2,1H3,(H,23,27)/t22-/m1/s1.
What are the key properties of (3R)-3'-[2-(3-methyl-1-benzofuran-2-yl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
(3R)-3'-[2-(3-methyl-1-benzofuran-2-yl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione has a molecular weight of 374.40 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3'-[2-(3-methyl-1-benzofuran-2-yl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 41324950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).