3-[[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]methylsulfonyl]benzoic acid;N-[6-[3-[[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]methylsulfonyl]phenyl]-6-oxohexyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-pentylacetamide;iodomethane

C93H99IN10O25S2 — CID 158327665

IUPAC3-[[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]methylsulfonyl]benzoic acid;N-[6-[3-[[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]methylsulfonyl]phenyl]-6-oxohexyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-pentylacetamide;iodomethane
SMILESCCCCCNC(=O)COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.CCCOc1cccc(Oc2cc3c(cc2CS(=O)(=O)c2cccc(C(=O)CCCCCNC(=O)COc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)c2)n(C)c(=O)n3C)c1.CCCOc1cccc(Oc2cc3c(cc2CS(=O)(=O)c2cccc(C(=O)O)c2)n(C)c(=O)n3C)c1.CI
InChIInChI=1S/C46H47N5O12S.C26H26N2O7S.C20H23N3O6.CH3I/c1-4-21-61-30-12-9-13-31(24-30)63-39-25-36-35(49(2)46(58)50(36)3)23-29(39)27-64(59,60)32-14-8-11-28(22-32)37(52)16-6-5-7-20-47-41(54)26-62-38-17-10-15-33-42(38)45(57)51(44(33)56)34-18-19-40(53)48-43(34)55;1-4-11-34-19-8-6-9-20(14-19)35-24-15-23-22(27(2)26(31)28(23)3)13-18(24)16-36(32,33)21-10-5-7-17(12-21)25(29)30;1-2-3-4-10-21-16(25)11-29-14-7-5-6-12-17(14)20(28)23(19(12)27)13-8-9-15(24)22-18(13)26;1-2/h8-15,17,22-25,34H,4-7,16,18-21,26-27H2,1-3H3,(H,47,54)(H,48,53,55);5-10,12-15H,4,11,16H2,1-3H3,(H,29,30);5-7,13H,2-4,8-11H2,1H3,(H,21,25)(H,22,24,26);1H3
InChIKeyGPPLFSCCVCXPAV-UHFFFAOYSA-N
MW1947.90 g/mol
LogP10.73
Rot. Bonds36

About 3-[[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]methylsulfonyl]benzoic acid;N-[6-[3-[[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]methylsulfonyl]phenyl]-6-oxohexyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-pentylacetamide;iodomethane

3-[[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]methylsulfonyl]benzoic acid;N-[6-[3-[[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]methylsulfonyl]phenyl]-6-oxohexyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-pentylacetamide;iodomethane (PubChem CID 158327665) has the molecular formula C93H99IN10O25S2 and a molecular weight of 1947.90 g/mol. Its IUPAC name is 3-[[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]methylsulfonyl]benzoic acid;N-[6-[3-[[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]methylsulfonyl]phenyl]-6-oxohexyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-pentylacetamide;iodomethane.

Molecular Properties

Compound Name3-[[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]methylsulfonyl]benzoic acid;N-[6-[3-[[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]methylsulfonyl]phenyl]-6-oxohexyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-pentylacetamide;iodomethane
PubChem CID158327665
Molecular FormulaC93H99IN10O25S2
Molecular Weight1947.90 g/mol
Exact Mass1946.53
IUPAC Name3-[[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]methylsulfonyl]benzoic acid;N-[6-[3-[[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]methylsulfonyl]phenyl]-6-oxohexyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-pentylacetamide;iodomethane
SMILESCCCCCNC(=O)COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.CCCOc1cccc(Oc2cc3c(cc2CS(=O)(=O)c2cccc(C(=O)CCCCCNC(=O)COc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)c2)n(C)c(=O)n3C)c1.CCCOc1cccc(Oc2cc3c(cc2CS(=O)(=O)c2cccc(C(=O)O)c2)n(C)c(=O)n3C)c1.CI
InChIInChI=1S/C46H47N5O12S.C26H26N2O7S.C20H23N3O6.CH3I/c1-4-21-61-30-12-9-13-31(24-30)63-39-25-36-35(49(2)46(58)50(36)3)23-29(39)27-64(59,60)32-14-8-11-28(22-32)37(52)16-6-5-7-20-47-41(54)26-62-38-17-10-15-33-42(38)45(57)51(44(33)56)34-18-19-40(53)48-43(34)55;1-4-11-34-19-8-6-9-20(14-19)35-24-15-23-22(27(2)26(31)28(23)3)13-18(24)16-36(32,33)21-10-5-7-17(12-21)25(29)30;1-2-3-4-10-21-16(25)11-29-14-7-5-6-12-17(14)20(28)23(19(12)27)13-8-9-15(24)22-18(13)26;1-2/h8-15,17,22-25,34H,4-7,16,18-21,26-27H2,1-3H3,(H,47,54)(H,48,53,55);5-10,12-15H,4,11,16H2,1-3H3,(H,29,30);5-7,13H,2-4,8-11H2,1H3,(H,21,25)(H,22,24,26);1H3
InChIKeyGPPLFSCCVCXPAV-UHFFFAOYSA-N
XLogP10.73
TPSA457.19 Ų
H-Bond Donors5
H-Bond Acceptors28
Rotatable Bonds36
Heavy Atoms131
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001947.90
LogP ≤ 510.73
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze 3-[[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]methylsulfonyl]benzoic acid;N-[6-[3-[[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]methylsulfonyl]phenyl]-6-oxohexyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-pentylacetamide;iodomethane 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

3-[[6-[3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy]-1,3-dimethyl-2-oxobenzimidazol-5-yl]methylsulfonyl]-N-[11-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-10-oxoundecyl]benzamide
CID 160884814
3-[[6-[3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy]-1,3-dimethyl-2-oxobenzimidazol-5-yl]methylsulfonyl]-N-[8-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]octyl]benzamide;4-[[10-[3-[[6-[3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy]-1,3-dimethyl-2-oxobenzimidazol-5-yl]methylsulfonyl]phenyl]-10-oxodecyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[6-[2-[2-[5-[3-[[6-[3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy]-1,3-dimethyl-2-oxobenzimidazol-5-yl]methylsulfonyl]phenyl]-5-oxopentoxy]ethoxy]ethoxy]-2-oxohexoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;3-[[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]methylsulfonyl]-N-[8-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]octyl]benzamide;4-[[10-[3-[[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]methylsulfonyl]phenyl]-10-oxodecyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
CID 158853171
N-[8-[acetyl-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyamino]octyl]-3-[[6-[3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy]-1,3-dimethyl-2-oxobenzimidazol-5-yl]sulfamoyl]benzamide
CID 138734393
12-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]dodecanoic acid
CID 168679816
6-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]-N-methylhexanamide
CID 155279746
2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[8-(2-methoxyethylamino)octyl]acetamide
CID 135177213
tert-butyl N-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]butyl]carbamate
CID 131999803
N-(11-aminoundecyl)-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide
CID 166910064
2-[3-[3-(3,4-dimethoxyphenyl)propyl]phenoxy]-N-[6-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyhexyl]acetamide
CID 134511220
N-(10-aminodecyl)-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;hydrochloride
CID 154612216
2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[6-(4-phenylpiperazin-1-yl)hexyl]acetamide
CID 163732964
N-(5-aminopentyl)-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2,2,2-trifluoroacetic acid
CID 155982402

Frequently Asked Questions

What is the IUPAC name of 3-[[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]methylsulfonyl]benzoic acid;N-[6-[3-[[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]methylsulfonyl]phenyl]-6-oxohexyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-pentylacetamide;iodomethane?
The IUPAC name of 3-[[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]methylsulfonyl]benzoic acid;N-[6-[3-[[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]methylsulfonyl]phenyl]-6-oxohexyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-pentylacetamide;iodomethane (CID 158327665) is 3-[[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]methylsulfonyl]benzoic acid;N-[6-[3-[[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]methylsulfonyl]phenyl]-6-oxohexyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-pentylacetamide;iodomethane.
What is the SMILES notation for 3-[[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]methylsulfonyl]benzoic acid;N-[6-[3-[[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]methylsulfonyl]phenyl]-6-oxohexyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-pentylacetamide;iodomethane?
The canonical SMILES for 3-[[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]methylsulfonyl]benzoic acid;N-[6-[3-[[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]methylsulfonyl]phenyl]-6-oxohexyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-pentylacetamide;iodomethane is CCCCCNC(=O)COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.CCCOc1cccc(Oc2cc3c(cc2CS(=O)(=O)c2cccc(C(=O)CCCCCNC(=O)COc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)c2)n(C)c(=O)n3C)c1.CCCOc1cccc(Oc2cc3c(cc2CS(=O)(=O)c2cccc(C(=O)O)c2)n(C)c(=O)n3C)c1.CI.
What is the InChIKey of 3-[[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]methylsulfonyl]benzoic acid;N-[6-[3-[[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]methylsulfonyl]phenyl]-6-oxohexyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-pentylacetamide;iodomethane?
The InChIKey is GPPLFSCCVCXPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H47N5O12S.C26H26N2O7S.C20H23N3O6.CH3I/c1-4-21-61-30-12-9-13-31(24-30)63-39-25-36-35(49(2)46(58)50(36)3)23-29(39)27-64(59,60)32-14-8-11-28(22-32)37(52)16-6-5-7-20-47-41(54)26-62-38-17-10-15-33-42(38)45(57)51(44(33)56)34-18-19-40(53)48-43(34)55;1-4-11-34-19-8-6-9-20(14-19)35-24-15-23-22(27(2)26(31)28(23)3)13-18(24)16-36(32,33)21-10-5-7-17(12-21)25(29)30;1-2-3-4-10-21-16(25)11-29-14-7-5-6-12-17(14)20(28)23(19(12)27)13-8-9-15(24)22-18(13)26;1-2/h8-15,17,22-25,34H,4-7,16,18-21,26-27H2,1-3H3,(H,47,54)(H,48,53,55);5-10,12-15H,4,11,16H2,1-3H3,(H,29,30);5-7,13H,2-4,8-11H2,1H3,(H,21,25)(H,22,24,26);1H3.
What are the key properties of 3-[[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]methylsulfonyl]benzoic acid;N-[6-[3-[[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]methylsulfonyl]phenyl]-6-oxohexyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-pentylacetamide;iodomethane?
3-[[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]methylsulfonyl]benzoic acid;N-[6-[3-[[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]methylsulfonyl]phenyl]-6-oxohexyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-pentylacetamide;iodomethane has a molecular weight of 1947.90 g/mol, XLogP of 10.73, 36 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]methylsulfonyl]benzoic acid;N-[6-[3-[[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]methylsulfonyl]phenyl]-6-oxohexyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-pentylacetamide;iodomethane is sourced from PubChem (CID 158327665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).