2-methyl-5-[2-[4-[5-[2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione;2-methyl-5-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione

C83H50N8O13 — CID 158366613

IUPAC2-methyl-5-[2-[4-[5-[2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione;2-methyl-5-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione
SMILESCc1ccc(Oc2ccc(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N(C)C6=O)cc4C3=O)cc2)cc1.Cc1ccc2nc(-c3ccc(N4C(=O)c5ccc(-c6ccc7c(c6)C(=O)N(c6ccc(N8C(=O)c9ccc(-c%10ccc%11c(c%10)C(=O)N(C)C%11=O)cc9C8=O)cc6)C7=O)cc5C4=O)cc3)[nH]c2c1
InChIInChI=1S/C53H30N6O8.C30H20N2O5/c1-26-3-20-43-44(21-26)55-45(54-43)27-4-10-32(11-5-27)57-48(62)36-18-8-30(24-40(36)51(57)65)31-9-19-38-42(25-31)53(67)59(50(38)64)34-14-12-33(13-15-34)58-49(63)37-17-7-29(23-41(37)52(58)66)28-6-16-35-39(22-28)47(61)56(2)46(35)60;1-17-3-9-21(10-4-17)37-22-11-7-20(8-12-22)32-29(35)24-14-6-19(16-26(24)30(32)36)18-5-13-23-25(15-18)28(34)31(2)27(23)33/h3-25H,1-2H3,(H,54,55);3-16H,1-2H3
InChIKeyGUCKJJZYBANTGE-UHFFFAOYSA-N
MW1367.36 g/mol
LogP13.98
Rot. Bonds10

About 2-methyl-5-[2-[4-[5-[2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione;2-methyl-5-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione

2-methyl-5-[2-[4-[5-[2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione;2-methyl-5-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione (PubChem CID 158366613) has the molecular formula C83H50N8O13 and a molecular weight of 1367.36 g/mol. Its IUPAC name is 2-methyl-5-[2-[4-[5-[2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione;2-methyl-5-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-methyl-5-[2-[4-[5-[2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione;2-methyl-5-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione
PubChem CID158366613
Molecular FormulaC83H50N8O13
Molecular Weight1367.36 g/mol
Exact Mass1366.35
IUPAC Name2-methyl-5-[2-[4-[5-[2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione;2-methyl-5-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione
SMILESCc1ccc(Oc2ccc(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N(C)C6=O)cc4C3=O)cc2)cc1.Cc1ccc2nc(-c3ccc(N4C(=O)c5ccc(-c6ccc7c(c6)C(=O)N(c6ccc(N8C(=O)c9ccc(-c%10ccc%11c(c%10)C(=O)N(C)C%11=O)cc9C8=O)cc6)C7=O)cc5C4=O)cc3)[nH]c2c1
InChIInChI=1S/C53H30N6O8.C30H20N2O5/c1-26-3-20-43-44(21-26)55-45(54-43)27-4-10-32(11-5-27)57-48(62)36-18-8-30(24-40(36)51(57)65)31-9-19-38-42(25-31)53(67)59(50(38)64)34-14-12-33(13-15-34)58-49(63)37-17-7-29(23-41(37)52(58)66)28-6-16-35-39(22-28)47(61)56(2)46(35)60;1-17-3-9-21(10-4-17)37-22-11-7-20(8-12-22)32-29(35)24-14-6-19(16-26(24)30(32)36)18-5-13-23-25(15-18)28(34)31(2)27(23)33/h3-25H,1-2H3,(H,54,55);3-16H,1-2H3
InChIKeyGUCKJJZYBANTGE-UHFFFAOYSA-N
XLogP13.98
TPSA262.19 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001367.36
LogP ≤ 513.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 2-methyl-5-[2-[4-[5-[2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione;2-methyl-5-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl N-[(2S)-1-[(2S)-2-[6-[(2R,5R)-5-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1-(4-phenoxyphenyl)pyrrolidin-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 58226517
4-[(2S)-2-(1,6-dimethylbenzimidazol-2-yl)-2-[2,5-dioxo-3-(4-phenoxyphenyl)imidazolidin-1-yl]ethyl]-N-propan-2-ylbenzamide
CID 155561761
N-[3-(1H-benzimidazol-2-yl)phenyl]-3-oxo-2-(2-phenoxyethyl)-1H-isoindole-4-carboxamide
CID 71677753
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-[2-(2-methoxyphenyl)ethyl]-3-oxo-1H-isoindole-4-carboxamide
CID 71729982
US9732075, Example 5.112
CID 72694688
US9732075, Example 5.94
CID 72695397
N-acetyl-N-[4-[4-[5-[2-[8-[2-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-11-oxoisoindolo[2,1-a]benzimidazol-8-yl]-11-oxoisoindolo[2,1-a]benzimidazol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]acetamide
CID 57957953
N-acetyl-N-[4-[4-[5-[2-[8-[2-[2-(3,4-dimethylphenyl)-1,1,1-trifluoropropan-2-yl]-11-oxoisoindolo[2,1-a]benzimidazol-8-yl]-11-oxoisoindolo[2,1-a]benzimidazol-2-yl]-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]acetamide
CID 58443995
2-(3,5-difluoro-4-methoxyphenyl)-1-[(2S)-2-[6-[4-[2-[(2S)-1-[2-(3,5-difluoro-4-methoxyphenyl)acetyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]phenyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]ethanone
CID 67889152
2-[2-(1,1-difluoroethoxy)phenyl]-1-[2-[6-[4-[2-[1-[2-[2-(1,1-difluoropropoxy)phenyl]acetyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]phenyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]ethanone
CID 123342427
2-[[4-fluoro-3-[4-[3-[[2-(4-methoxyphenyl)acetyl]amino]propyl]phenyl]phenyl]methyl]-N-[3-[4-(2-fluorophenyl)phenyl]propyl]-3H-benzimidazole-5-carboxamide
CID 138722240
2-[2-(1,1-difluoroethoxy)phenyl]-1-[2-[6-[4-[2-[(2S)-1-[2-[2-(1,1-difluoroethoxy)phenyl]acetyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]phenyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]ethanone
CID 144132566

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[2-[4-[5-[2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione;2-methyl-5-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione?
The IUPAC name of 2-methyl-5-[2-[4-[5-[2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione;2-methyl-5-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione (CID 158366613) is 2-methyl-5-[2-[4-[5-[2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione;2-methyl-5-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-methyl-5-[2-[4-[5-[2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione;2-methyl-5-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione?
The canonical SMILES for 2-methyl-5-[2-[4-[5-[2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione;2-methyl-5-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione is Cc1ccc(Oc2ccc(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N(C)C6=O)cc4C3=O)cc2)cc1.Cc1ccc2nc(-c3ccc(N4C(=O)c5ccc(-c6ccc7c(c6)C(=O)N(c6ccc(N8C(=O)c9ccc(-c%10ccc%11c(c%10)C(=O)N(C)C%11=O)cc9C8=O)cc6)C7=O)cc5C4=O)cc3)[nH]c2c1.
What is the InChIKey of 2-methyl-5-[2-[4-[5-[2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione;2-methyl-5-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione?
The InChIKey is GUCKJJZYBANTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H30N6O8.C30H20N2O5/c1-26-3-20-43-44(21-26)55-45(54-43)27-4-10-32(11-5-27)57-48(62)36-18-8-30(24-40(36)51(57)65)31-9-19-38-42(25-31)53(67)59(50(38)64)34-14-12-33(13-15-34)58-49(63)37-17-7-29(23-41(37)52(58)66)28-6-16-35-39(22-28)47(61)56(2)46(35)60;1-17-3-9-21(10-4-17)37-22-11-7-20(8-12-22)32-29(35)24-14-6-19(16-26(24)30(32)36)18-5-13-23-25(15-18)28(34)31(2)27(23)33/h3-25H,1-2H3,(H,54,55);3-16H,1-2H3.
What are the key properties of 2-methyl-5-[2-[4-[5-[2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione;2-methyl-5-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione?
2-methyl-5-[2-[4-[5-[2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione;2-methyl-5-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione has a molecular weight of 1367.36 g/mol, XLogP of 13.98, 10 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[2-[4-[5-[2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione;2-methyl-5-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione is sourced from PubChem (CID 158366613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).