(5R)-5-(1-benzofuran-2-yl)-3-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione

C26H27N3O6 — CID 41411043

IUPAC(5R)-5-(1-benzofuran-2-yl)-3-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
SMILESCOc1ccc(OC)c([C@H]2CCCN2C(=O)CN2C(=O)N[C@](C)(c3cc4ccccc4o3)C2=O)c1
InChIInChI=1S/C26H27N3O6/c1-26(22-13-16-7-4-5-9-20(16)35-22)24(31)29(25(32)27-26)15-23(30)28-12-6-8-19(28)18-14-17(33-2)10-11-21(18)34-3/h4-5,7,9-11,13-14,19H,6,8,12,15H2,1-3H3,(H,27,32)/t19-,26-/m1/s1
InChIKeyQQBFQCRXZKMKLC-NIYFSFCBSA-N
MW477.52 g/mol
LogP3.58
Rot. Bonds6

About (5R)-5-(1-benzofuran-2-yl)-3-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione

(5R)-5-(1-benzofuran-2-yl)-3-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione (PubChem CID 41411043) has the molecular formula C26H27N3O6 and a molecular weight of 477.52 g/mol. Its IUPAC name is (5R)-5-(1-benzofuran-2-yl)-3-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-(1-benzofuran-2-yl)-3-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
PubChem CID41411043
Molecular FormulaC26H27N3O6
Molecular Weight477.52 g/mol
Exact Mass477.19
IUPAC Name(5R)-5-(1-benzofuran-2-yl)-3-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
SMILESCOc1ccc(OC)c([C@H]2CCCN2C(=O)CN2C(=O)N[C@](C)(c3cc4ccccc4o3)C2=O)c1
InChIInChI=1S/C26H27N3O6/c1-26(22-13-16-7-4-5-9-20(16)35-22)24(31)29(25(32)27-26)15-23(30)28-12-6-8-19(28)18-14-17(33-2)10-11-21(18)34-3/h4-5,7,9-11,13-14,19H,6,8,12,15H2,1-3H3,(H,27,32)/t19-,26-/m1/s1
InChIKeyQQBFQCRXZKMKLC-NIYFSFCBSA-N
XLogP3.58
TPSA101.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.52
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5-(1-benzofuran-2-yl)-3-[2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 41411048
(5R)-3-[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]-5-(1-benzofuran-2-yl)-5-methylimidazolidine-2,4-dione
CID 41119322
(5S)-3-[2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 41176561
5-(1-benzofuran-2-yl)-3-[2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 42893307
3-[2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 17441468
(4S)-3'-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 41041216
(5R)-5-(1-benzofuran-2-yl)-3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 51684131
(5S)-5-(1-benzofuran-2-yl)-5-methyl-3-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]imidazolidine-2,4-dione
CID 9292738
5-(1-benzofuran-2-yl)-3-[2-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 22107875
2-[4-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-4-oxobutyl]isoindole-1,3-dione
CID 29364468
5-(4-fluorophenyl)-3-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 42937258
2-[4-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-4-oxobutyl]isoindole-1,3-dione
CID 29364471

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(1-benzofuran-2-yl)-3-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5R)-5-(1-benzofuran-2-yl)-3-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione (CID 41411043) is (5R)-5-(1-benzofuran-2-yl)-3-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-(1-benzofuran-2-yl)-3-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-(1-benzofuran-2-yl)-3-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione is COc1ccc(OC)c([C@H]2CCCN2C(=O)CN2C(=O)N[C@](C)(c3cc4ccccc4o3)C2=O)c1.
What is the InChIKey of (5R)-5-(1-benzofuran-2-yl)-3-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is QQBFQCRXZKMKLC-NIYFSFCBSA-N. The full InChI is InChI=1S/C26H27N3O6/c1-26(22-13-16-7-4-5-9-20(16)35-22)24(31)29(25(32)27-26)15-23(30)28-12-6-8-19(28)18-14-17(33-2)10-11-21(18)34-3/h4-5,7,9-11,13-14,19H,6,8,12,15H2,1-3H3,(H,27,32)/t19-,26-/m1/s1.
What are the key properties of (5R)-5-(1-benzofuran-2-yl)-3-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
(5R)-5-(1-benzofuran-2-yl)-3-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 477.52 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(1-benzofuran-2-yl)-3-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 41411043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).