1-benzyl-3,3-bis(1H-indol-3-yl)-4-methoxypyrrolidine-2,5-dione

C28H23N3O3 — CID 10742140

IUPAC1-benzyl-3,3-bis(1H-indol-3-yl)-4-methoxypyrrolidine-2,5-dione
SMILESCOC1C(=O)N(Cc2ccccc2)C(=O)C1(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
InChIInChI=1S/C28H23N3O3/c1-34-25-26(32)31(17-18-9-3-2-4-10-18)27(33)28(25,21-15-29-23-13-7-5-11-19(21)23)22-16-30-24-14-8-6-12-20(22)24/h2-16,25,29-30H,17H2,1H3
InChIKeyWPHXENXSQNINOF-UHFFFAOYSA-N
MW449.51 g/mol
LogP4.52
Rot. Bonds5

About 1-benzyl-3,3-bis(1H-indol-3-yl)-4-methoxypyrrolidine-2,5-dione

1-benzyl-3,3-bis(1H-indol-3-yl)-4-methoxypyrrolidine-2,5-dione (PubChem CID 10742140) has the molecular formula C28H23N3O3 and a molecular weight of 449.51 g/mol. Its IUPAC name is 1-benzyl-3,3-bis(1H-indol-3-yl)-4-methoxypyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-benzyl-3,3-bis(1H-indol-3-yl)-4-methoxypyrrolidine-2,5-dione
PubChem CID10742140
Molecular FormulaC28H23N3O3
Molecular Weight449.51 g/mol
Exact Mass449.17
IUPAC Name1-benzyl-3,3-bis(1H-indol-3-yl)-4-methoxypyrrolidine-2,5-dione
SMILESCOC1C(=O)N(Cc2ccccc2)C(=O)C1(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
InChIInChI=1S/C28H23N3O3/c1-34-25-26(32)31(17-18-9-3-2-4-10-18)27(33)28(25,21-15-29-23-13-7-5-11-19(21)23)22-16-30-24-14-8-6-12-20(22)24/h2-16,25,29-30H,17H2,1H3
InChIKeyWPHXENXSQNINOF-UHFFFAOYSA-N
XLogP4.52
TPSA78.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-3-hydroxy-3-(1H-indol-3-yl)-7-methylindol-2-one
CID 164523817
(3R)-1-benzyl-3-(2,3-dimethyl-1H-indol-6-yl)-3-(1H-indol-3-yl)indol-2-one
CID 139093857
1-benzyl-4-hydroxy-3-methoxy-4-phenyl-3H-quinolin-2-one
CID 142438041
methyl 5-(1-benzyl-2,5-dioxopyrrolidin-3-yl)-1H-indole-3-carboxylate
CID 67530601
1-benzyl-3-(1H-indol-3-yl)-3-(4-methylphenyl)sulfonyl-7-(trifluoromethyl)indol-2-one
CID 102103192
5-(1H-indol-3-yl)-1-[(4-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one
CID 135014319
(3R,4R)-3-benzylsulfanyl-3-(1H-indol-3-yl)-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 102185380
1-benzyl-3-chloro-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 10806820
4-(4-aminocyclohexyl)oxy-1-benzyl-3,3-dimethylpyrrolidine-2,5-dione
CID 171536722
(5R)-5-(1H-indol-3-ylmethyl)-3-[[4-[[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]methyl]phenyl]methyl]imidazolidine-2,4-dione
CID 92535449
(3R,6S)-1-benzyl-3-(1H-indol-3-ylmethyl)-6-methylpiperazine-2,5-dione
CID 57068910
(4R)-1-benzyl-4-hydroxy-3,3-dimethylpyrrolidine-2,5-dione
CID 100953267

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3,3-bis(1H-indol-3-yl)-4-methoxypyrrolidine-2,5-dione?
The IUPAC name of 1-benzyl-3,3-bis(1H-indol-3-yl)-4-methoxypyrrolidine-2,5-dione (CID 10742140) is 1-benzyl-3,3-bis(1H-indol-3-yl)-4-methoxypyrrolidine-2,5-dione.
What is the SMILES notation for 1-benzyl-3,3-bis(1H-indol-3-yl)-4-methoxypyrrolidine-2,5-dione?
The canonical SMILES for 1-benzyl-3,3-bis(1H-indol-3-yl)-4-methoxypyrrolidine-2,5-dione is COC1C(=O)N(Cc2ccccc2)C(=O)C1(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12.
What is the InChIKey of 1-benzyl-3,3-bis(1H-indol-3-yl)-4-methoxypyrrolidine-2,5-dione?
The InChIKey is WPHXENXSQNINOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3O3/c1-34-25-26(32)31(17-18-9-3-2-4-10-18)27(33)28(25,21-15-29-23-13-7-5-11-19(21)23)22-16-30-24-14-8-6-12-20(22)24/h2-16,25,29-30H,17H2,1H3.
What are the key properties of 1-benzyl-3,3-bis(1H-indol-3-yl)-4-methoxypyrrolidine-2,5-dione?
1-benzyl-3,3-bis(1H-indol-3-yl)-4-methoxypyrrolidine-2,5-dione has a molecular weight of 449.51 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3,3-bis(1H-indol-3-yl)-4-methoxypyrrolidine-2,5-dione is sourced from PubChem (CID 10742140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).