1-(4-methoxyphenyl)-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]imidazolidine-2,4,5-trione

C21H19N3O5 — CID 8597469

IUPAC1-(4-methoxyphenyl)-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]imidazolidine-2,4,5-trione
SMILESCOc1ccc(N2C(=O)C(=O)N(CC(=O)N3c4ccccc4C[C@@H]3C)C2=O)cc1
InChIInChI=1S/C21H19N3O5/c1-13-11-14-5-3-4-6-17(14)23(13)18(25)12-22-19(26)20(27)24(21(22)28)15-7-9-16(29-2)10-8-15/h3-10,13H,11-12H2,1-2H3/t13-/m0/s1
InChIKeyAMJBKPCVZIEVDY-ZDUSSCGKSA-N
MW393.40 g/mol
LogP1.97
Rot. Bonds4

About 1-(4-methoxyphenyl)-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]imidazolidine-2,4,5-trione

1-(4-methoxyphenyl)-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]imidazolidine-2,4,5-trione (PubChem CID 8597469) has the molecular formula C21H19N3O5 and a molecular weight of 393.40 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]imidazolidine-2,4,5-trione
PubChem CID8597469
Molecular FormulaC21H19N3O5
Molecular Weight393.40 g/mol
Exact Mass393.13
IUPAC Name1-(4-methoxyphenyl)-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]imidazolidine-2,4,5-trione
SMILESCOc1ccc(N2C(=O)C(=O)N(CC(=O)N3c4ccccc4C[C@@H]3C)C2=O)cc1
InChIInChI=1S/C21H19N3O5/c1-13-11-14-5-3-4-6-17(14)23(13)18(25)12-22-19(26)20(27)24(21(22)28)15-7-9-16(29-2)10-8-15/h3-10,13H,11-12H2,1-2H3/t13-/m0/s1
InChIKeyAMJBKPCVZIEVDY-ZDUSSCGKSA-N
XLogP1.97
TPSA87.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxyphenyl)-3-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]imidazolidine-2,4,5-trione
CID 25470659
1-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4,5-trione
CID 8626165
5,5-bis(4-methoxyphenyl)-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 41236434
1-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-3-(4-methoxyphenyl)imidazolidine-2,4,5-trione
CID 7888512
1-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]-3-(4-methylphenyl)imidazolidine-2,4,5-trione
CID 45351356
(5S)-5-ethyl-5-(4-methoxyphenyl)-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 7802300
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 4881991
2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 8597411
2-(7-methoxynaphthalen-2-yl)oxy-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 7652721
1,2-bis(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 73142226
2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 43008117
N-[2-(4-methoxyphenyl)ethyl]-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108948863

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]imidazolidine-2,4,5-trione?
The IUPAC name of 1-(4-methoxyphenyl)-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]imidazolidine-2,4,5-trione (CID 8597469) is 1-(4-methoxyphenyl)-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]imidazolidine-2,4,5-trione?
The canonical SMILES for 1-(4-methoxyphenyl)-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]imidazolidine-2,4,5-trione is COc1ccc(N2C(=O)C(=O)N(CC(=O)N3c4ccccc4C[C@@H]3C)C2=O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]imidazolidine-2,4,5-trione?
The InChIKey is AMJBKPCVZIEVDY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H19N3O5/c1-13-11-14-5-3-4-6-17(14)23(13)18(25)12-22-19(26)20(27)24(21(22)28)15-7-9-16(29-2)10-8-15/h3-10,13H,11-12H2,1-2H3/t13-/m0/s1.
What are the key properties of 1-(4-methoxyphenyl)-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]imidazolidine-2,4,5-trione?
1-(4-methoxyphenyl)-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]imidazolidine-2,4,5-trione has a molecular weight of 393.40 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]imidazolidine-2,4,5-trione is sourced from PubChem (CID 8597469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).