fluorobenzene;hydroperoxymethane;methoxymethane;2-[(2S)-1-methylpyrrolidin-2-yl]-5-[3-[3,3,7,7-tetramethyl-8-[3-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1,2,5,6-tetrahydro-s-indacen-4-yl]phenyl]-1H-imidazole;2-oxoethylazanide;N-(2-oxoethyl)formamide;tungsten

C64H81F2N8O6W- — CID 155715857

IUPACfluorobenzene;hydroperoxymethane;methoxymethane;2-[(2S)-1-methylpyrrolidin-2-yl]-5-[3-[3,3,7,7-tetramethyl-8-[3-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1,2,5,6-tetrahydro-s-indacen-4-yl]phenyl]-1H-imidazole;2-oxoethylazanide;N-(2-oxoethyl)formamide;tungsten
SMILESCN1CCC[C@H]1c1ncc(-c2cccc(-c3c4c(c(-c5cccc(-c6cnc([C@@H]7CCCN7C)[nH]6)c5)c5c3C(C)(C)CC5)C(C)(C)CC4)c2)[nH]1.COC.COO.Fc1ccccc1.Fc1ccccc1.O=CCNC=O.[NH-]CC=O.[W]
InChIInChI=1S/C44H52N6.2C6H5F.C3H5NO2.C2H4NO.C2H6O.CH4O2.W/c1-43(2)19-17-31-38(30-14-8-12-28(24-30)34-26-46-42(48-34)36-16-10-22-50(36)6)40-32(18-20-44(40,3)4)37(39(31)43)29-13-7-11-27(23-29)33-25-45-41(47-33)35-15-9-21-49(35)5;2*7-6-4-2-1-3-5-6;5-2-1-4-3-6;3-1-2-4;2*1-3-2;/h7-8,11-14,23-26,35-36H,9-10,15-22H2,1-6H3,(H,45,47)(H,46,48);2*1-5H;2-3H,1H2,(H,4,6);2-3H,1H2;1-2H3;2H,1H3;/q;;;;-1;;;/t35-,36-;;;;;;;/m0......./s1
InChIKeyMUDDZPLMCMYRJA-KQPZBVDGSA-N
MW1280.24 g/mol
LogP12.97
Rot. Bonds10

About fluorobenzene;hydroperoxymethane;methoxymethane;2-[(2S)-1-methylpyrrolidin-2-yl]-5-[3-[3,3,7,7-tetramethyl-8-[3-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1,2,5,6-tetrahydro-s-indacen-4-yl]phenyl]-1H-imidazole;2-oxoethylazanide;N-(2-oxoethyl)formamide;tungsten

fluorobenzene;hydroperoxymethane;methoxymethane;2-[(2S)-1-methylpyrrolidin-2-yl]-5-[3-[3,3,7,7-tetramethyl-8-[3-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1,2,5,6-tetrahydro-s-indacen-4-yl]phenyl]-1H-imidazole;2-oxoethylazanide;N-(2-oxoethyl)formamide;tungsten (PubChem CID 155715857) has the molecular formula C64H81F2N8O6W- and a molecular weight of 1280.24 g/mol. Its IUPAC name is fluorobenzene;hydroperoxymethane;methoxymethane;2-[(2S)-1-methylpyrrolidin-2-yl]-5-[3-[3,3,7,7-tetramethyl-8-[3-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1,2,5,6-tetrahydro-s-indacen-4-yl]phenyl]-1H-imidazole;2-oxoethylazanide;N-(2-oxoethyl)formamide;tungsten.

Molecular Properties

Compound Namefluorobenzene;hydroperoxymethane;methoxymethane;2-[(2S)-1-methylpyrrolidin-2-yl]-5-[3-[3,3,7,7-tetramethyl-8-[3-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1,2,5,6-tetrahydro-s-indacen-4-yl]phenyl]-1H-imidazole;2-oxoethylazanide;N-(2-oxoethyl)formamide;tungsten
PubChem CID155715857
Molecular FormulaC64H81F2N8O6W-
Molecular Weight1280.24 g/mol
Exact Mass1279.58
IUPAC Namefluorobenzene;hydroperoxymethane;methoxymethane;2-[(2S)-1-methylpyrrolidin-2-yl]-5-[3-[3,3,7,7-tetramethyl-8-[3-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1,2,5,6-tetrahydro-s-indacen-4-yl]phenyl]-1H-imidazole;2-oxoethylazanide;N-(2-oxoethyl)formamide;tungsten
SMILESCN1CCC[C@H]1c1ncc(-c2cccc(-c3c4c(c(-c5cccc(-c6cnc([C@@H]7CCCN7C)[nH]6)c5)c5c3C(C)(C)CC5)C(C)(C)CC4)c2)[nH]1.COC.COO.Fc1ccccc1.Fc1ccccc1.O=CCNC=O.[NH-]CC=O.[W]
InChIInChI=1S/C44H52N6.2C6H5F.C3H5NO2.C2H4NO.C2H6O.CH4O2.W/c1-43(2)19-17-31-38(30-14-8-12-28(24-30)34-26-46-42(48-34)36-16-10-22-50(36)6)40-32(18-20-44(40,3)4)37(39(31)43)29-13-7-11-27(23-29)33-25-45-41(47-33)35-15-9-21-49(35)5;2*7-6-4-2-1-3-5-6;5-2-1-4-3-6;3-1-2-4;2*1-3-2;/h7-8,11-14,23-26,35-36H,9-10,15-22H2,1-6H3,(H,45,47)(H,46,48);2*1-5H;2-3H,1H2,(H,4,6);2-3H,1H2;1-2H3;2H,1H3;/q;;;;-1;;;/t35-,36-;;;;;;;/m0......./s1
InChIKeyMUDDZPLMCMYRJA-KQPZBVDGSA-N
XLogP12.97
TPSA189.57 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001280.24
LogP ≤ 512.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze fluorobenzene;hydroperoxymethane;methoxymethane;2-[(2S)-1-methylpyrrolidin-2-yl]-5-[3-[3,3,7,7-tetramethyl-8-[3-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1,2,5,6-tetrahydro-s-indacen-4-yl]phenyl]-1H-imidazole;2-oxoethylazanide;N-(2-oxoethyl)formamide;tungsten with MolForge

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Related Compounds

methyl N-[2-[(2S)-2-[5-[5-[8-[5-[2-[(2S)-1-[(2R)-2-(methoxycarbonylamino)butanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-3-pyridinyl]-3,3,7,7-tetramethyl-1,2,5,6-tetrahydro-s-indacen-4-yl]-3-pyridinyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
CID 155715838
methyl N-[1-[(2S)-2-[5-[4-[8-[4-[2-[(2S)-1-[2-(methoxycarbonylamino)-3-phenylpropanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3,3,7,7-tetramethyl-1,2,5,6-tetrahydro-s-indacen-4-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 155249155
2-pyridin-4-yl-1-[(2S)-2-[5-[4-[3,3,7,7-tetramethyl-8-[4-[2-[(2S)-1-(2-pyridin-4-ylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1,2,5,6-tetrahydro-s-indacen-4-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]ethanone
CID 155715835
2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid
CID 129096469
methoxymethane;2-(methylamino)acetaldehyde;methyl formate;N-[2-[(2S)-2-[5-[4-[6-[4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-trien-3-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]formamide;propane
CID 144563665
5-(7-bromo-9,9-difluorofluoren-2-yl)-2-(1-methylpyrrolidin-2-yl)-1H-imidazole
CID 91157040
5-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]pyrimidine
CID 143630216
1'-methyl-7-[2-(1-methylpyrrolidin-2-yl)-1H-imidazol-5-yl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[1,2-dihydroindene-3,3'-pyrrolidine];methyl N-(2-oxoethyl)carbamate;propane
CID 144594258
(2R)-2-(dimethylamino)-N-[[5-[5-[3-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1,3-oxazol-2-yl]-1H-imidazol-2-yl]methyl]-2-phenyl-N-propylacetamide
CID 126599560
[(2S)-2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 97009815
methyl N-[(1R)-2-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[2-(dimethylamino)-2-(3-fluorophenyl)acetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
CID 91265489
methyl N-[2-[(2S)-2-[5-[3-(2-fluorophenyl)-4-methylphenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 145269727

Frequently Asked Questions

What is the IUPAC name of fluorobenzene;hydroperoxymethane;methoxymethane;2-[(2S)-1-methylpyrrolidin-2-yl]-5-[3-[3,3,7,7-tetramethyl-8-[3-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1,2,5,6-tetrahydro-s-indacen-4-yl]phenyl]-1H-imidazole;2-oxoethylazanide;N-(2-oxoethyl)formamide;tungsten?
The IUPAC name of fluorobenzene;hydroperoxymethane;methoxymethane;2-[(2S)-1-methylpyrrolidin-2-yl]-5-[3-[3,3,7,7-tetramethyl-8-[3-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1,2,5,6-tetrahydro-s-indacen-4-yl]phenyl]-1H-imidazole;2-oxoethylazanide;N-(2-oxoethyl)formamide;tungsten (CID 155715857) is fluorobenzene;hydroperoxymethane;methoxymethane;2-[(2S)-1-methylpyrrolidin-2-yl]-5-[3-[3,3,7,7-tetramethyl-8-[3-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1,2,5,6-tetrahydro-s-indacen-4-yl]phenyl]-1H-imidazole;2-oxoethylazanide;N-(2-oxoethyl)formamide;tungsten.
What is the SMILES notation for fluorobenzene;hydroperoxymethane;methoxymethane;2-[(2S)-1-methylpyrrolidin-2-yl]-5-[3-[3,3,7,7-tetramethyl-8-[3-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1,2,5,6-tetrahydro-s-indacen-4-yl]phenyl]-1H-imidazole;2-oxoethylazanide;N-(2-oxoethyl)formamide;tungsten?
The canonical SMILES for fluorobenzene;hydroperoxymethane;methoxymethane;2-[(2S)-1-methylpyrrolidin-2-yl]-5-[3-[3,3,7,7-tetramethyl-8-[3-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1,2,5,6-tetrahydro-s-indacen-4-yl]phenyl]-1H-imidazole;2-oxoethylazanide;N-(2-oxoethyl)formamide;tungsten is CN1CCC[C@H]1c1ncc(-c2cccc(-c3c4c(c(-c5cccc(-c6cnc([C@@H]7CCCN7C)[nH]6)c5)c5c3C(C)(C)CC5)C(C)(C)CC4)c2)[nH]1.COC.COO.Fc1ccccc1.Fc1ccccc1.O=CCNC=O.[NH-]CC=O.[W].
What is the InChIKey of fluorobenzene;hydroperoxymethane;methoxymethane;2-[(2S)-1-methylpyrrolidin-2-yl]-5-[3-[3,3,7,7-tetramethyl-8-[3-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1,2,5,6-tetrahydro-s-indacen-4-yl]phenyl]-1H-imidazole;2-oxoethylazanide;N-(2-oxoethyl)formamide;tungsten?
The InChIKey is MUDDZPLMCMYRJA-KQPZBVDGSA-N. The full InChI is InChI=1S/C44H52N6.2C6H5F.C3H5NO2.C2H4NO.C2H6O.CH4O2.W/c1-43(2)19-17-31-38(30-14-8-12-28(24-30)34-26-46-42(48-34)36-16-10-22-50(36)6)40-32(18-20-44(40,3)4)37(39(31)43)29-13-7-11-27(23-29)33-25-45-41(47-33)35-15-9-21-49(35)5;2*7-6-4-2-1-3-5-6;5-2-1-4-3-6;3-1-2-4;2*1-3-2;/h7-8,11-14,23-26,35-36H,9-10,15-22H2,1-6H3,(H,45,47)(H,46,48);2*1-5H;2-3H,1H2,(H,4,6);2-3H,1H2;1-2H3;2H,1H3;/q;;;;-1;;;/t35-,36-;;;;;;;/m0......./s1.
What are the key properties of fluorobenzene;hydroperoxymethane;methoxymethane;2-[(2S)-1-methylpyrrolidin-2-yl]-5-[3-[3,3,7,7-tetramethyl-8-[3-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1,2,5,6-tetrahydro-s-indacen-4-yl]phenyl]-1H-imidazole;2-oxoethylazanide;N-(2-oxoethyl)formamide;tungsten?
fluorobenzene;hydroperoxymethane;methoxymethane;2-[(2S)-1-methylpyrrolidin-2-yl]-5-[3-[3,3,7,7-tetramethyl-8-[3-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1,2,5,6-tetrahydro-s-indacen-4-yl]phenyl]-1H-imidazole;2-oxoethylazanide;N-(2-oxoethyl)formamide;tungsten has a molecular weight of 1280.24 g/mol, XLogP of 12.97, 10 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for fluorobenzene;hydroperoxymethane;methoxymethane;2-[(2S)-1-methylpyrrolidin-2-yl]-5-[3-[3,3,7,7-tetramethyl-8-[3-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1,2,5,6-tetrahydro-s-indacen-4-yl]phenyl]-1H-imidazole;2-oxoethylazanide;N-(2-oxoethyl)formamide;tungsten is sourced from PubChem (CID 155715857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).