methyl 1-[2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-2,3-dihydroindole-2-carboxylate

C23H23N3O6 — CID 56548332

IUPACmethyl 1-[2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-2,3-dihydroindole-2-carboxylate
SMILESCOC(=O)C1Cc2ccccc2N1C(=O)CN1C(=O)NC(C)(c2ccc(OC)cc2)C1=O
InChIInChI=1S/C23H23N3O6/c1-23(15-8-10-16(31-2)11-9-15)21(29)25(22(30)24-23)13-19(27)26-17-7-5-4-6-14(17)12-18(26)20(28)32-3/h4-11,18H,12-13H2,1-3H3,(H,24,30)
InChIKeyHBSYZEABSLGKAR-UHFFFAOYSA-N
MW437.45 g/mol
LogP1.59
Rot. Bonds5

About methyl 1-[2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-2,3-dihydroindole-2-carboxylate

methyl 1-[2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-2,3-dihydroindole-2-carboxylate (PubChem CID 56548332) has the molecular formula C23H23N3O6 and a molecular weight of 437.45 g/mol. Its IUPAC name is methyl 1-[2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-2,3-dihydroindole-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-2,3-dihydroindole-2-carboxylate
PubChem CID56548332
Molecular FormulaC23H23N3O6
Molecular Weight437.45 g/mol
Exact Mass437.16
IUPAC Namemethyl 1-[2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-2,3-dihydroindole-2-carboxylate
SMILESCOC(=O)C1Cc2ccccc2N1C(=O)CN1C(=O)NC(C)(c2ccc(OC)cc2)C1=O
InChIInChI=1S/C23H23N3O6/c1-23(15-8-10-16(31-2)11-9-15)21(29)25(22(30)24-23)13-19(27)26-17-7-5-4-6-14(17)12-18(26)20(28)32-3/h4-11,18H,12-13H2,1-3H3,(H,24,30)
InChIKeyHBSYZEABSLGKAR-UHFFFAOYSA-N
XLogP1.59
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.45
LogP ≤ 51.59
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-[4-(difluoromethoxy)phenyl]-5-methyl-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 41124309
5,5-bis(4-methoxyphenyl)-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 41236434
(5S)-5-(4-fluorophenyl)-5-methyl-3-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 27140977
(5S)-5-ethyl-5-(4-methoxyphenyl)-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 7802300
(5R)-5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 9453120
3-[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 43024882
tert-butyl 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 42898029
(5S)-3-(2-bromoprop-2-enyl)-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 95303678
(5R)-5-(3-methoxyphenyl)-5-methyl-3-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 40843224
(5S)-5-(3-methoxyphenyl)-5-methyl-3-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 40843226
methyl (2S)-1-[2-(2-methylbenzimidazol-1-yl)acetyl]-2,3-dihydroindole-2-carboxylate
CID 95161925
(5S)-5-(4-methoxyphenyl)-5-methyl-3-[2-oxo-2-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 52501154

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-2,3-dihydroindole-2-carboxylate?
The IUPAC name of methyl 1-[2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-2,3-dihydroindole-2-carboxylate (CID 56548332) is methyl 1-[2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-2,3-dihydroindole-2-carboxylate.
What is the SMILES notation for methyl 1-[2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-2,3-dihydroindole-2-carboxylate?
The canonical SMILES for methyl 1-[2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-2,3-dihydroindole-2-carboxylate is COC(=O)C1Cc2ccccc2N1C(=O)CN1C(=O)NC(C)(c2ccc(OC)cc2)C1=O.
What is the InChIKey of methyl 1-[2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-2,3-dihydroindole-2-carboxylate?
The InChIKey is HBSYZEABSLGKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O6/c1-23(15-8-10-16(31-2)11-9-15)21(29)25(22(30)24-23)13-19(27)26-17-7-5-4-6-14(17)12-18(26)20(28)32-3/h4-11,18H,12-13H2,1-3H3,(H,24,30).
What are the key properties of methyl 1-[2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-2,3-dihydroindole-2-carboxylate?
methyl 1-[2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-2,3-dihydroindole-2-carboxylate has a molecular weight of 437.45 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-2,3-dihydroindole-2-carboxylate is sourced from PubChem (CID 56548332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).