3-amino-1-[[4-[(2,4-difluorophenoxy)methyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]pyridin-2-one;deuterio(fluoro)methane;(E,2S)-7-(dimethylamino)-2-(methoxycarbonylamino)-7-oxohept-5-enoic acid;methyl N-[(E,3S)-1-[1-[[7-[(2,4-difluorophenoxy)methyl]-3H-indol-2-yl]methyl]-2-oxo-3-pyridinyl]-8-(dimethylamino)-2,8-dioxooct-6-en-3-yl]carbamate;methyl N-[(E,3S)-1-[1-[[4-[(2,4-difluorophenoxy)methyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-2-oxo-3-pyridinyl]-8-(dimethylamino)-2,8-dioxooct-6-en-3-yl]carbamate

C109H132F7N15O21Si2 — CID 157489809

About 3-amino-1-[[4-[(2,4-difluorophenoxy)methyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]pyridin-2-one;deuterio(fluoro)methane;(E,2S)-7-(dimethylamino)-2-(methoxycarbonylamino)-7-oxohept-5-enoic acid;methyl N-[(E,3S)-1-[1-[[7-[(2,4-difluorophenoxy)methyl]-3H-indol-2-yl]methyl]-2-oxo-3-pyridinyl]-8-(dimethylamino)-2,8-dioxooct-6-en-3-yl]carbamate;methyl N-[(E,3S)-1-[1-[[4-[(2,4-difluorophenoxy)methyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-2-oxo-3-pyridinyl]-8-(dimethylamino)-2,8-dioxooct-6-en-3-yl]carbamate

3-amino-1-[[4-[(2,4-difluorophenoxy)methyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]pyridin-2-one;deuterio(fluoro)methane;(E,2S)-7-(dimethylamino)-2-(methoxycarbonylamino)-7-oxohept-5-enoic acid;methyl N-[(E,3S)-1-[1-[[7-[(2,4-difluorophenoxy)methyl]-3H-indol-2-yl]methyl]-2-oxo-3-pyridinyl]-8-(dimethylamino)-2,8-dioxooct-6-en-3-yl]carbamate;methyl N-[(E,3S)-1-[1-[[4-[(2,4-difluorophenoxy)methyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-2-oxo-3-pyridinyl]-8-(dimethylamino)-2,8-dioxooct-6-en-3-yl]carbamate (PubChem CID 157489809) has the molecular formula C109H132F7N15O21Si2 and a molecular weight of 2178.50 g/mol. Its IUPAC name is 3-amino-1-[[4-[(2,4-difluorophenoxy)methyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]pyridin-2-one;deuterio(fluoro)methane;(E,2S)-7-(dimethylamino)-2-(methoxycarbonylamino)-7-oxohept-5-enoic acid;methyl N-[(E,3S)-1-[1-[[7-[(2,4-difluorophenoxy)methyl]-3H-indol-2-yl]methyl]-2-oxo-3-pyridinyl]-8-(dimethylamino)-2,8-dioxooct-6-en-3-yl]carbamate;methyl N-[(E,3S)-1-[1-[[4-[(2,4-difluorophenoxy)methyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-2-oxo-3-pyridinyl]-8-(dimethylamino)-2,8-dioxooct-6-en-3-yl]carbamate.

Molecular Properties

• Compound Name: 3-amino-1-[[4-[(2,4-difluorophenoxy)methyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]pyridin-2-one;deuterio(fluoro)methane;(E,2S)-7-(dimethylamino)-2-(methoxycarbonylamino)-7-oxohept-5-enoic acid;methyl N-[(E,3S)-1-[1-[[7-[(2,4-difluorophenoxy)methyl]-3H-indol-2-yl]methyl]-2-oxo-3-pyridinyl]-8-(dimethylamino)-2,8-dioxooct-6-en-3-yl]carbamate;methyl N-[(E,3S)-1-[1-[[4-[(2,4-difluorophenoxy)methyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-2-oxo-3-pyridinyl]-8-(dimethylamino)-2,8-dioxooct-6-en-3-yl]carbamate
• PubChem CID: 157489809
• Molecular Formula: C109H132F7N15O21Si2
• Molecular Weight: 2178.50 g/mol
• Exact Mass: 2176.92
• IUPAC Name: 3-amino-1-[[4-[(2,4-difluorophenoxy)methyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]pyridin-2-one;deuterio(fluoro)methane;(E,2S)-7-(dimethylamino)-2-(methoxycarbonylamino)-7-oxohept-5-enoic acid;methyl N-[(E,3S)-1-[1-[[7-[(2,4-difluorophenoxy)methyl]-3H-indol-2-yl]methyl]-2-oxo-3-pyridinyl]-8-(dimethylamino)-2,8-dioxooct-6-en-3-yl]carbamate;methyl N-[(E,3S)-1-[1-[[4-[(2,4-difluorophenoxy)methyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-2-oxo-3-pyridinyl]-8-(dimethylamino)-2,8-dioxooct-6-en-3-yl]carbamate
• SMILES: COC(=O)N[C@@H](CC/C=C/C(=O)N(C)C)C(=O)Cc1cccn(CC2=Nc3c(COc4ccc(F)cc4F)cccc3C2)c1=O.COC(=O)N[C@@H](CC/C=C/C(=O)N(C)C)C(=O)Cc1cccn(Cc2nc3c(COc4ccc(F)cc4F)cccc3n2COCC[Si](C)(C)C)c1=O.COC(=O)N[C@@H](CC/C=C/C(=O)N(C)C)C(=O)O.C[Si](C)(C)CCOCn1c(Cn2cccc(N)c2=O)nc2c(COc3ccc(F)cc3F)cccc21.[2H]CF
• InChI: InChI=1S/C38H47F2N5O7Si.C33H34F2N4O6.C26H30F2N4O3Si.C11H18N2O5.CH3F/c1-43(2)35(47)15-8-7-13-30(41-38(49)50-3)32(46)21-26-12-10-18-44(37(26)48)23-34-42-36-27(24-52-33-17-16-28(39)22-29(33)40)11-9-14-31(36)45(34)25-51-19-20-53(4,5)6;1-38(2)30(41)12-5-4-11-27(37-33(43)44-3)28(40)17-22-10-7-15-39(32(22)42)19-25-16-21-8-6-9-23(31(21)36-25)20-45-29-14-13-24(34)18-26(29)35;1-36(2,3)13-12-34-17-32-22-8-4-6-18(16-35-23-10-9-19(27)14-20(23)28)25(22)30-24(32)15-31-11-5-7-21(29)26(31)33;1-13(2)9(14)7-5-4-6-8(10(15)16)12-11(17)18-3;1-2/h8-12,14-18,22,30H,7,13,19-21,23-25H2,1-6H3,(H,41,49);5-10,12-15,18,27H,4,11,16-17,19-20H2,1-3H3,(H,37,43);4-11,14H,12-13,15-17,29H2,1-3H3;5,7-8H,4,6H2,1-3H3,(H,12,17)(H,15,16);1H3/b15-8+;12-5+;;7-5+;/t30-;27-;;8-;/m00.0./s1/i;;;;1D
• InChIKey: BXDFRXFHMFQKGP-AWJJEQOPSA-N
• XLogP: 15.78
• TPSA: 433.53 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 29
• Rotatable Bonds: 47
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2178.50
LogP ≤ 5	15.78
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[[4-[(2,4-difluorophenoxy)methyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]pyridin-2-one;deuterio(fluoro)methane;(E,2S)-7-(dimethylamino)-2-(methoxycarbonylamino)-7-oxohept-5-enoic acid;methyl N-[(E,3S)-1-[1-[[7-[(2,4-difluorophenoxy)methyl]-3H-indol-2-yl]methyl]-2-oxo-3-pyridinyl]-8-(dimethylamino)-2,8-dioxooct-6-en-3-yl]carbamate;methyl N-[(E,3S)-1-[1-[[4-[(2,4-difluorophenoxy)methyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-2-oxo-3-pyridinyl]-8-(dimethylamino)-2,8-dioxooct-6-en-3-yl]carbamate?

The IUPAC name of 3-amino-1-[[4-[(2,4-difluorophenoxy)methyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]pyridin-2-one;deuterio(fluoro)methane;(E,2S)-7-(dimethylamino)-2-(methoxycarbonylamino)-7-oxohept-5-enoic acid;methyl N-[(E,3S)-1-[1-[[7-[(2,4-difluorophenoxy)methyl]-3H-indol-2-yl]methyl]-2-oxo-3-pyridinyl]-8-(dimethylamino)-2,8-dioxooct-6-en-3-yl]carbamate;methyl N-[(E,3S)-1-[1-[[4-[(2,4-difluorophenoxy)methyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-2-oxo-3-pyridinyl]-8-(dimethylamino)-2,8-dioxooct-6-en-3-yl]carbamate (CID 157489809) is 3-amino-1-[[4-[(2,4-difluorophenoxy)methyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]pyridin-2-one;deuterio(fluoro)methane;(E,2S)-7-(dimethylamino)-2-(methoxycarbonylamino)-7-oxohept-5-enoic acid;methyl N-[(E,3S)-1-[1-[[7-[(2,4-difluorophenoxy)methyl]-3H-indol-2-yl]methyl]-2-oxo-3-pyridinyl]-8-(dimethylamino)-2,8-dioxooct-6-en-3-yl]carbamate;methyl N-[(E,3S)-1-[1-[[4-[(2,4-difluorophenoxy)methyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-2-oxo-3-pyridinyl]-8-(dimethylamino)-2,8-dioxooct-6-en-3-yl]carbamate.

What is the SMILES notation for 3-amino-1-[[4-[(2,4-difluorophenoxy)methyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]pyridin-2-one;deuterio(fluoro)methane;(E,2S)-7-(dimethylamino)-2-(methoxycarbonylamino)-7-oxohept-5-enoic acid;methyl N-[(E,3S)-1-[1-[[7-[(2,4-difluorophenoxy)methyl]-3H-indol-2-yl]methyl]-2-oxo-3-pyridinyl]-8-(dimethylamino)-2,8-dioxooct-6-en-3-yl]carbamate;methyl N-[(E,3S)-1-[1-[[4-[(2,4-difluorophenoxy)methyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-2-oxo-3-pyridinyl]-8-(dimethylamino)-2,8-dioxooct-6-en-3-yl]carbamate?

The canonical SMILES for 3-amino-1-[[4-[(2,4-difluorophenoxy)methyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]pyridin-2-one;deuterio(fluoro)methane;(E,2S)-7-(dimethylamino)-2-(methoxycarbonylamino)-7-oxohept-5-enoic acid;methyl N-[(E,3S)-1-[1-[[7-[(2,4-difluorophenoxy)methyl]-3H-indol-2-yl]methyl]-2-oxo-3-pyridinyl]-8-(dimethylamino)-2,8-dioxooct-6-en-3-yl]carbamate;methyl N-[(E,3S)-1-[1-[[4-[(2,4-difluorophenoxy)methyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-2-oxo-3-pyridinyl]-8-(dimethylamino)-2,8-dioxooct-6-en-3-yl]carbamate is COC(=O)N[C@@H](CC/C=C/C(=O)N(C)C)C(=O)Cc1cccn(CC2=Nc3c(COc4ccc(F)cc4F)cccc3C2)c1=O.COC(=O)N[C@@H](CC/C=C/C(=O)N(C)C)C(=O)Cc1cccn(Cc2nc3c(COc4ccc(F)cc4F)cccc3n2COCC[Si](C)(C)C)c1=O.COC(=O)N[C@@H](CC/C=C/C(=O)N(C)C)C(=O)O.C[Si](C)(C)CCOCn1c(Cn2cccc(N)c2=O)nc2c(COc3ccc(F)cc3F)cccc21.[2H]CF.

What is the InChIKey of 3-amino-1-[[4-[(2,4-difluorophenoxy)methyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]pyridin-2-one;deuterio(fluoro)methane;(E,2S)-7-(dimethylamino)-2-(methoxycarbonylamino)-7-oxohept-5-enoic acid;methyl N-[(E,3S)-1-[1-[[7-[(2,4-difluorophenoxy)methyl]-3H-indol-2-yl]methyl]-2-oxo-3-pyridinyl]-8-(dimethylamino)-2,8-dioxooct-6-en-3-yl]carbamate;methyl N-[(E,3S)-1-[1-[[4-[(2,4-difluorophenoxy)methyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-2-oxo-3-pyridinyl]-8-(dimethylamino)-2,8-dioxooct-6-en-3-yl]carbamate?

The InChIKey is BXDFRXFHMFQKGP-AWJJEQOPSA-N. The full InChI is InChI=1S/C38H47F2N5O7Si.C33H34F2N4O6.C26H30F2N4O3Si.C11H18N2O5.CH3F/c1-43(2)35(47)15-8-7-13-30(41-38(49)50-3)32(46)21-26-12-10-18-44(37(26)48)23-34-42-36-27(24-52-33-17-16-28(39)22-29(33)40)11-9-14-31(36)45(34)25-51-19-20-53(4,5)6;1-38(2)30(41)12-5-4-11-27(37-33(43)44-3)28(40)17-22-10-7-15-39(32(22)42)19-25-16-21-8-6-9-23(31(21)36-25)20-45-29-14-13-24(34)18-26(29)35;1-36(2,3)13-12-34-17-32-22-8-4-6-18(16-35-23-10-9-19(27)14-20(23)28)25(22)30-24(32)15-31-11-5-7-21(29)26(31)33;1-13(2)9(14)7-5-4-6-8(10(15)16)12-11(17)18-3;1-2/h8-12,14-18,22,30H,7,13,19-21,23-25H2,1-6H3,(H,41,49);5-10,12-15,18,27H,4,11,16-17,19-20H2,1-3H3,(H,37,43);4-11,14H,12-13,15-17,29H2,1-3H3;5,7-8H,4,6H2,1-3H3,(H,12,17)(H,15,16);1H3/b15-8+;12-5+;;7-5+;/t30-;27-;;8-;/m00.0./s1/i;;;;1D.

What are the key properties of 3-amino-1-[[4-[(2,4-difluorophenoxy)methyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]pyridin-2-one;deuterio(fluoro)methane;(E,2S)-7-(dimethylamino)-2-(methoxycarbonylamino)-7-oxohept-5-enoic acid;methyl N-[(E,3S)-1-[1-[[7-[(2,4-difluorophenoxy)methyl]-3H-indol-2-yl]methyl]-2-oxo-3-pyridinyl]-8-(dimethylamino)-2,8-dioxooct-6-en-3-yl]carbamate;methyl N-[(E,3S)-1-[1-[[4-[(2,4-difluorophenoxy)methyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-2-oxo-3-pyridinyl]-8-(dimethylamino)-2,8-dioxooct-6-en-3-yl]carbamate?

3-amino-1-[[4-[(2,4-difluorophenoxy)methyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]pyridin-2-one;deuterio(fluoro)methane;(E,2S)-7-(dimethylamino)-2-(methoxycarbonylamino)-7-oxohept-5-enoic acid;methyl N-[(E,3S)-1-[1-[[7-[(2,4-difluorophenoxy)methyl]-3H-indol-2-yl]methyl]-2-oxo-3-pyridinyl]-8-(dimethylamino)-2,8-dioxooct-6-en-3-yl]carbamate;methyl N-[(E,3S)-1-[1-[[4-[(2,4-difluorophenoxy)methyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-2-oxo-3-pyridinyl]-8-(dimethylamino)-2,8-dioxooct-6-en-3-yl]carbamate has a molecular weight of 2178.50 g/mol, XLogP of 15.78, 47 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-1-[[4-[(2,4-difluorophenoxy)methyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]pyridin-2-one;deuterio(fluoro)methane;(E,2S)-7-(dimethylamino)-2-(methoxycarbonylamino)-7-oxohept-5-enoic acid;methyl N-[(E,3S)-1-[1-[[7-[(2,4-difluorophenoxy)methyl]-3H-indol-2-yl]methyl]-2-oxo-3-pyridinyl]-8-(dimethylamino)-2,8-dioxooct-6-en-3-yl]carbamate;methyl N-[(E,3S)-1-[1-[[4-[(2,4-difluorophenoxy)methyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-2-oxo-3-pyridinyl]-8-(dimethylamino)-2,8-dioxooct-6-en-3-yl]carbamate is sourced from PubChem (CID 157489809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).