2-[[5-ethyl-7-methyl-1-(4-methylphenyl)sulfonyl-3-phenylindol-4-yl]-hydroxymethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carbonitrile;2-[[5-ethyl-7-methyl-1-(4-methylphenyl)sulfonyl-3-phenylindol-4-yl]-hydroxymethyl]-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carbonitrile

C78H84N8O8S2Si2 — CID 162025136

IUPAC2-[[5-ethyl-7-methyl-1-(4-methylphenyl)sulfonyl-3-phenylindol-4-yl]-hydroxymethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carbonitrile;2-[[5-ethyl-7-methyl-1-(4-methylphenyl)sulfonyl-3-phenylindol-4-yl]-hydroxymethyl]-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carbonitrile
SMILESCCc1cc(C)c2c(c(-c3ccccc3)cn2S(=O)(=O)c2ccc(C)cc2)c1C(O)c1nc2cc(C#N)ccc2n1COCC[Si](C)(C)C.CCc1cc(C)c2c(c(-c3ccccc3)cn2S(=O)(=O)c2ccc(C)cc2)c1C(O)c1nc2ccc(C#N)cc2n1COCC[Si](C)(C)C
InChIInChI=1S/2C39H42N4O4SSi/c1-7-29-21-27(3)37-36(32(30-11-9-8-10-12-30)24-43(37)48(45,46)31-16-13-26(2)14-17-31)35(29)38(44)39-41-33-22-28(23-40)15-18-34(33)42(39)25-47-19-20-49(4,5)6;1-7-29-21-27(3)37-36(32(30-11-9-8-10-12-30)24-43(37)48(45,46)31-16-13-26(2)14-17-31)35(29)38(44)39-41-33-18-15-28(23-40)22-34(33)42(39)25-47-19-20-49(4,5)6/h2*8-18,21-22,24,38,44H,7,19-20,25H2,1-6H3
InChIKeyYVGRUGXLRBOOFE-UHFFFAOYSA-N
MW1381.88 g/mol
LogP16.68
Rot. Bonds22

About 2-[[5-ethyl-7-methyl-1-(4-methylphenyl)sulfonyl-3-phenylindol-4-yl]-hydroxymethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carbonitrile;2-[[5-ethyl-7-methyl-1-(4-methylphenyl)sulfonyl-3-phenylindol-4-yl]-hydroxymethyl]-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carbonitrile

2-[[5-ethyl-7-methyl-1-(4-methylphenyl)sulfonyl-3-phenylindol-4-yl]-hydroxymethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carbonitrile;2-[[5-ethyl-7-methyl-1-(4-methylphenyl)sulfonyl-3-phenylindol-4-yl]-hydroxymethyl]-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carbonitrile (PubChem CID 162025136) has the molecular formula C78H84N8O8S2Si2 and a molecular weight of 1381.88 g/mol. Its IUPAC name is 2-[[5-ethyl-7-methyl-1-(4-methylphenyl)sulfonyl-3-phenylindol-4-yl]-hydroxymethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carbonitrile;2-[[5-ethyl-7-methyl-1-(4-methylphenyl)sulfonyl-3-phenylindol-4-yl]-hydroxymethyl]-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-[[5-ethyl-7-methyl-1-(4-methylphenyl)sulfonyl-3-phenylindol-4-yl]-hydroxymethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carbonitrile;2-[[5-ethyl-7-methyl-1-(4-methylphenyl)sulfonyl-3-phenylindol-4-yl]-hydroxymethyl]-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carbonitrile
PubChem CID162025136
Molecular FormulaC78H84N8O8S2Si2
Molecular Weight1381.88 g/mol
Exact Mass1380.54
IUPAC Name2-[[5-ethyl-7-methyl-1-(4-methylphenyl)sulfonyl-3-phenylindol-4-yl]-hydroxymethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carbonitrile;2-[[5-ethyl-7-methyl-1-(4-methylphenyl)sulfonyl-3-phenylindol-4-yl]-hydroxymethyl]-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carbonitrile
SMILESCCc1cc(C)c2c(c(-c3ccccc3)cn2S(=O)(=O)c2ccc(C)cc2)c1C(O)c1nc2cc(C#N)ccc2n1COCC[Si](C)(C)C.CCc1cc(C)c2c(c(-c3ccccc3)cn2S(=O)(=O)c2ccc(C)cc2)c1C(O)c1nc2ccc(C#N)cc2n1COCC[Si](C)(C)C
InChIInChI=1S/2C39H42N4O4SSi/c1-7-29-21-27(3)37-36(32(30-11-9-8-10-12-30)24-43(37)48(45,46)31-16-13-26(2)14-17-31)35(29)38(44)39-41-33-22-28(23-40)15-18-34(33)42(39)25-47-19-20-49(4,5)6;1-7-29-21-27(3)37-36(32(30-11-9-8-10-12-30)24-43(37)48(45,46)31-16-13-26(2)14-17-31)35(29)38(44)39-41-33-18-15-28(23-40)22-34(33)42(39)25-47-19-20-49(4,5)6/h2*8-18,21-22,24,38,44H,7,19-20,25H2,1-6H3
InChIKeyYVGRUGXLRBOOFE-UHFFFAOYSA-N
XLogP16.68
TPSA220.28 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds22
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001381.88
LogP ≤ 516.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 2-[[5-ethyl-7-methyl-1-(4-methylphenyl)sulfonyl-3-phenylindol-4-yl]-hydroxymethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carbonitrile;2-[[5-ethyl-7-methyl-1-(4-methylphenyl)sulfonyl-3-phenylindol-4-yl]-hydroxymethyl]-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carbonitrile 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

N-[[5-cyano-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-[5,7-dimethyl-1-(4-methylphenyl)sulfonylindol-4-yl]methyl]-2,2,2-trifluoro-N-methylacetamide;N-[[6-cyano-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-[5,7-dimethyl-1-(4-methylphenyl)sulfonylindol-4-yl]methyl]-2,2,2-trifluoro-N-methylacetamide
CID 158180178
N-[[6-cyano-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-[5,7-dimethyl-1-(4-methylphenyl)sulfonylindol-4-yl]methyl]methanesulfonamide
CID 86701639
2-[5,7-dimethyl-1-(4-methylphenyl)sulfonylindole-4-carbonyl]-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carbonitrile
CID 86701612
2-[1-methoxy-1-[7-methyl-1-(4-methylphenyl)sulfonyl-5-methylsulfonylindol-4-yl]ethyl]-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carbonitrile
CID 86701461
2-[amino-(2-methoxy-4,6-dimethylphenyl)methyl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carbonitrile
CID 140748572
2-[2,2,2-trifluoro-1-methoxy-1-[7-methyl-1-(4-methylphenyl)sulfonyl-5-methylsulfanylindol-4-yl]ethyl]-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carbonitrile
CID 86701472
tert-butyl 4-[[6-cyano-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-hydroxymethyl]-5-(difluoromethoxy)-7-methylindole-1-carboxylate
CID 86701445
N-[1-[5-cyano-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-1-[7-methyl-1-(4-methylphenyl)sulfonyl-5-methylsulfanylindol-4-yl]ethyl]-2-methylpropane-2-sulfinamide
CID 86701465
2-[(5-ethyl-7-methyl-1H-indol-4-yl)-methoxy-(4-methylphenyl)sulfonylmethyl]-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carbonitrile
CID 90010617
tert-butyl 4-[1-[5-cyano-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-3-methoxy-2-methyl-3-oxopropyl]-5-methoxy-7-methylindole-1-carboxylate;tert-butyl 4-[1-[6-cyano-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-3-methoxy-2-methyl-3-oxopropyl]-5-methoxy-7-methylindole-1-carboxylate
CID 158911053
2-[[7-methyl-1-(4-methylphenyl)sulfonyl-5-(2-trimethylsilylethoxymethoxymethyl)indol-4-yl]methyl]-3H-benzimidazole-5-carbonitrile
CID 86701556
2-[dimethylamino-(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carbonitrile
CID 90057383

Frequently Asked Questions

What is the IUPAC name of 2-[[5-ethyl-7-methyl-1-(4-methylphenyl)sulfonyl-3-phenylindol-4-yl]-hydroxymethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carbonitrile;2-[[5-ethyl-7-methyl-1-(4-methylphenyl)sulfonyl-3-phenylindol-4-yl]-hydroxymethyl]-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carbonitrile?
The IUPAC name of 2-[[5-ethyl-7-methyl-1-(4-methylphenyl)sulfonyl-3-phenylindol-4-yl]-hydroxymethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carbonitrile;2-[[5-ethyl-7-methyl-1-(4-methylphenyl)sulfonyl-3-phenylindol-4-yl]-hydroxymethyl]-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carbonitrile (CID 162025136) is 2-[[5-ethyl-7-methyl-1-(4-methylphenyl)sulfonyl-3-phenylindol-4-yl]-hydroxymethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carbonitrile;2-[[5-ethyl-7-methyl-1-(4-methylphenyl)sulfonyl-3-phenylindol-4-yl]-hydroxymethyl]-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carbonitrile.
What is the SMILES notation for 2-[[5-ethyl-7-methyl-1-(4-methylphenyl)sulfonyl-3-phenylindol-4-yl]-hydroxymethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carbonitrile;2-[[5-ethyl-7-methyl-1-(4-methylphenyl)sulfonyl-3-phenylindol-4-yl]-hydroxymethyl]-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carbonitrile?
The canonical SMILES for 2-[[5-ethyl-7-methyl-1-(4-methylphenyl)sulfonyl-3-phenylindol-4-yl]-hydroxymethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carbonitrile;2-[[5-ethyl-7-methyl-1-(4-methylphenyl)sulfonyl-3-phenylindol-4-yl]-hydroxymethyl]-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carbonitrile is CCc1cc(C)c2c(c(-c3ccccc3)cn2S(=O)(=O)c2ccc(C)cc2)c1C(O)c1nc2cc(C#N)ccc2n1COCC[Si](C)(C)C.CCc1cc(C)c2c(c(-c3ccccc3)cn2S(=O)(=O)c2ccc(C)cc2)c1C(O)c1nc2ccc(C#N)cc2n1COCC[Si](C)(C)C.
What is the InChIKey of 2-[[5-ethyl-7-methyl-1-(4-methylphenyl)sulfonyl-3-phenylindol-4-yl]-hydroxymethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carbonitrile;2-[[5-ethyl-7-methyl-1-(4-methylphenyl)sulfonyl-3-phenylindol-4-yl]-hydroxymethyl]-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carbonitrile?
The InChIKey is YVGRUGXLRBOOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C39H42N4O4SSi/c1-7-29-21-27(3)37-36(32(30-11-9-8-10-12-30)24-43(37)48(45,46)31-16-13-26(2)14-17-31)35(29)38(44)39-41-33-22-28(23-40)15-18-34(33)42(39)25-47-19-20-49(4,5)6;1-7-29-21-27(3)37-36(32(30-11-9-8-10-12-30)24-43(37)48(45,46)31-16-13-26(2)14-17-31)35(29)38(44)39-41-33-18-15-28(23-40)22-34(33)42(39)25-47-19-20-49(4,5)6/h2*8-18,21-22,24,38,44H,7,19-20,25H2,1-6H3.
What are the key properties of 2-[[5-ethyl-7-methyl-1-(4-methylphenyl)sulfonyl-3-phenylindol-4-yl]-hydroxymethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carbonitrile;2-[[5-ethyl-7-methyl-1-(4-methylphenyl)sulfonyl-3-phenylindol-4-yl]-hydroxymethyl]-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carbonitrile?
2-[[5-ethyl-7-methyl-1-(4-methylphenyl)sulfonyl-3-phenylindol-4-yl]-hydroxymethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carbonitrile;2-[[5-ethyl-7-methyl-1-(4-methylphenyl)sulfonyl-3-phenylindol-4-yl]-hydroxymethyl]-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carbonitrile has a molecular weight of 1381.88 g/mol, XLogP of 16.68, 22 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-ethyl-7-methyl-1-(4-methylphenyl)sulfonyl-3-phenylindol-4-yl]-hydroxymethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carbonitrile;2-[[5-ethyl-7-methyl-1-(4-methylphenyl)sulfonyl-3-phenylindol-4-yl]-hydroxymethyl]-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carbonitrile is sourced from PubChem (CID 162025136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).