1-(3H-benzimidazol-5-yl)-4-(2-fluorophenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(3-fluorophenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(3-methoxyphenyl)butane-1,4-dione;tris(1-(3H-benzimidazol-5-yl)-4-(4-methylphenyl)butane-1,4-dione);1-(3H-benzimidazol-5-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione

C160H132F8N18O20 — CID 160597803

IUPAC1-(3H-benzimidazol-5-yl)-4-(2-fluorophenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(3-fluorophenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(3-methoxyphenyl)butane-1,4-dione;tris(1-(3H-benzimidazol-5-yl)-4-(4-methylphenyl)butane-1,4-dione);1-(3H-benzimidazol-5-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione
SMILESCOc1cccc(C(=O)CCC(=O)c2ccc3nc[nH]c3c2)c1.COc1ccccc1C(=O)CCC(=O)c1ccc2nc[nH]c2c1.Cc1ccc(C(=O)CCC(=O)c2ccc3nc[nH]c3c2)cc1.Cc1ccc(C(=O)CCC(=O)c2ccc3nc[nH]c3c2)cc1.Cc1ccc(C(=O)CCC(=O)c2ccc3nc[nH]c3c2)cc1.O=C(CCC(=O)c1ccc2nc[nH]c2c1)c1cccc(C(F)(F)F)c1.O=C(CCC(=O)c1ccc2nc[nH]c2c1)c1cccc(F)c1.O=C(CCC(=O)c1ccccc1C(F)(F)F)c1ccc2nc[nH]c2c1.O=C(CCC(=O)c1ccccc1F)c1ccc2nc[nH]c2c1
InChIInChI=1S/2C18H13F3N2O2.2C18H16N2O3.3C18H16N2O2.2C17H13FN2O2/c19-18(20,21)13-3-1-2-11(8-13)16(24)6-7-17(25)12-4-5-14-15(9-12)23-10-22-14;19-18(20,21)13-4-2-1-3-12(13)17(25)8-7-16(24)11-5-6-14-15(9-11)23-10-22-14;1-23-14-4-2-3-12(9-14)17(21)7-8-18(22)13-5-6-15-16(10-13)20-11-19-15;1-23-18-5-3-2-4-13(18)17(22)9-8-16(21)12-6-7-14-15(10-12)20-11-19-14;3*1-12-2-4-13(5-3-12)17(21)8-9-18(22)14-6-7-15-16(10-14)20-11-19-15;18-13-3-1-2-11(8-13)16(21)6-7-17(22)12-4-5-14-15(9-12)20-10-19-14;18-13-4-2-1-3-12(13)17(22)8-7-16(21)11-5-6-14-15(9-11)20-10-19-14/h1-5,8-10H,6-7H2,(H,22,23);1-6,9-10H,7-8H2,(H,22,23);2-6,9-11H,7-8H2,1H3,(H,19,20);2-7,10-11H,8-9H2,1H3,(H,19,20);3*2-7,10-11H,8-9H2,1H3,(H,19,20);1-5,8-10H,6-7H2,(H,19,20);1-6,9-10H,7-8H2,(H,19,20)
InChIKeyRDWGETHVYIRJGI-UHFFFAOYSA-N
MW2778.91 g/mol
LogP33.94
Rot. Bonds47

About 1-(3H-benzimidazol-5-yl)-4-(2-fluorophenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(3-fluorophenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(3-methoxyphenyl)butane-1,4-dione;tris(1-(3H-benzimidazol-5-yl)-4-(4-methylphenyl)butane-1,4-dione);1-(3H-benzimidazol-5-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione

1-(3H-benzimidazol-5-yl)-4-(2-fluorophenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(3-fluorophenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(3-methoxyphenyl)butane-1,4-dione;tris(1-(3H-benzimidazol-5-yl)-4-(4-methylphenyl)butane-1,4-dione);1-(3H-benzimidazol-5-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione (PubChem CID 160597803) has the molecular formula C160H132F8N18O20 and a molecular weight of 2778.91 g/mol. Its IUPAC name is 1-(3H-benzimidazol-5-yl)-4-(2-fluorophenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(3-fluorophenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(3-methoxyphenyl)butane-1,4-dione;tris(1-(3H-benzimidazol-5-yl)-4-(4-methylphenyl)butane-1,4-dione);1-(3H-benzimidazol-5-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione.

Molecular Properties

Compound Name1-(3H-benzimidazol-5-yl)-4-(2-fluorophenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(3-fluorophenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(3-methoxyphenyl)butane-1,4-dione;tris(1-(3H-benzimidazol-5-yl)-4-(4-methylphenyl)butane-1,4-dione);1-(3H-benzimidazol-5-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione
PubChem CID160597803
Molecular FormulaC160H132F8N18O20
Molecular Weight2778.91 g/mol
Exact Mass2776.97
IUPAC Name1-(3H-benzimidazol-5-yl)-4-(2-fluorophenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(3-fluorophenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(3-methoxyphenyl)butane-1,4-dione;tris(1-(3H-benzimidazol-5-yl)-4-(4-methylphenyl)butane-1,4-dione);1-(3H-benzimidazol-5-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione
SMILESCOc1cccc(C(=O)CCC(=O)c2ccc3nc[nH]c3c2)c1.COc1ccccc1C(=O)CCC(=O)c1ccc2nc[nH]c2c1.Cc1ccc(C(=O)CCC(=O)c2ccc3nc[nH]c3c2)cc1.Cc1ccc(C(=O)CCC(=O)c2ccc3nc[nH]c3c2)cc1.Cc1ccc(C(=O)CCC(=O)c2ccc3nc[nH]c3c2)cc1.O=C(CCC(=O)c1ccc2nc[nH]c2c1)c1cccc(C(F)(F)F)c1.O=C(CCC(=O)c1ccc2nc[nH]c2c1)c1cccc(F)c1.O=C(CCC(=O)c1ccccc1C(F)(F)F)c1ccc2nc[nH]c2c1.O=C(CCC(=O)c1ccccc1F)c1ccc2nc[nH]c2c1
InChIInChI=1S/2C18H13F3N2O2.2C18H16N2O3.3C18H16N2O2.2C17H13FN2O2/c19-18(20,21)13-3-1-2-11(8-13)16(24)6-7-17(25)12-4-5-14-15(9-12)23-10-22-14;19-18(20,21)13-4-2-1-3-12(13)17(25)8-7-16(24)11-5-6-14-15(9-11)23-10-22-14;1-23-14-4-2-3-12(9-14)17(21)7-8-18(22)13-5-6-15-16(10-13)20-11-19-15;1-23-18-5-3-2-4-13(18)17(22)9-8-16(21)12-6-7-14-15(10-12)20-11-19-14;3*1-12-2-4-13(5-3-12)17(21)8-9-18(22)14-6-7-15-16(10-14)20-11-19-15;18-13-3-1-2-11(8-13)16(21)6-7-17(22)12-4-5-14-15(9-12)20-10-19-14;18-13-4-2-1-3-12(13)17(22)8-7-16(21)11-5-6-14-15(9-11)20-10-19-14/h1-5,8-10H,6-7H2,(H,22,23);1-6,9-10H,7-8H2,(H,22,23);2-6,9-11H,7-8H2,1H3,(H,19,20);2-7,10-11H,8-9H2,1H3,(H,19,20);3*2-7,10-11H,8-9H2,1H3,(H,19,20);1-5,8-10H,6-7H2,(H,19,20);1-6,9-10H,7-8H2,(H,19,20)
InChIKeyRDWGETHVYIRJGI-UHFFFAOYSA-N
XLogP33.94
TPSA583.84 Ų
H-Bond Donors9
H-Bond Acceptors29
Rotatable Bonds47
Heavy Atoms206
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002778.91
LogP ≤ 533.94
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1029

Analyze 1-(3H-benzimidazol-5-yl)-4-(2-fluorophenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(3-fluorophenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(3-methoxyphenyl)butane-1,4-dione;tris(1-(3H-benzimidazol-5-yl)-4-(4-methylphenyl)butane-1,4-dione);1-(3H-benzimidazol-5-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione with MolForge

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Related Compounds

1-(3H-benzimidazol-5-yl)-4-phenylbutane-1,4-dione;1-(1-benzofuran-5-yl)-4-(2-fluorophenyl)butane-1,4-dione;1-(1-benzofuran-5-yl)-4-(3-fluorophenyl)butane-1,4-dione;1-(1-benzofuran-5-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(1-benzofuran-5-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(1-benzofuran-5-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione
CID 159083158
1-(3H-benzimidazol-5-yl)-4-(2-fluorophenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-[4-(trifluoromethyl)phenyl]butane-1,4-dione;1-(1H-indol-5-yl)-4-(4-methoxyphenyl)butane-1,4-dione;1-(1H-indol-5-yl)-4-phenylbutane-1,4-dione;1-(1H-indol-5-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(1H-indol-5-yl)-4-pyridin-3-ylbutane-1,4-dione;1-(1H-indol-5-yl)-4-pyridin-4-ylbutane-1,4-dione
CID 160191476
1-(2-fluorophenyl)-4-(1H-indol-5-yl)butane-1,4-dione;1-(3-fluorophenyl)-4-(1H-indol-5-yl)butane-1,4-dione;1-(1H-indol-5-yl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(1H-indol-5-yl)-4-(3-methoxyphenyl)butane-1,4-dione;tris(1-(1H-indol-5-yl)-4-(4-methylphenyl)butane-1,4-dione);1-(1H-indol-5-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(1H-indol-5-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione
CID 160938668
tris(1-(3H-benzimidazol-5-yl)-4-phenylbutane-1,4-dione);1-(3H-benzimidazol-5-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(1-benzofuran-5-yl)-4-(2-fluorophenyl)butane-1,4-dione;1-(1-benzofuran-5-yl)-4-(3-fluorophenyl)butane-1,4-dione;1-(1-benzofuran-5-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(1-benzofuran-5-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(1-benzofuran-5-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione
CID 161860962
7-(3H-benzimidazol-5-yl)-3-[(E)-1-(5-methyl-1H-imidazol-4-yl)prop-1-en-2-yl]chromen-4-one
CID 123980640
2-[2-(4-acetylphenyl)-3H-benzimidazol-5-yl]-1-(4-pyrrolidin-1-ylphenyl)ethanone;1-[4-(diethylamino)phenyl]-2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone;1-(4-fluorophenyl)-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone;1-(3-methoxyphenyl)-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone;1-(4-methoxyphenyl)-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone;methyl 4-[6-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-1H-benzimidazol-2-yl]benzoate;N-[4-[6-(2-oxo-3-phenylpropyl)-1H-benzimidazol-2-yl]phenyl]-2-phenylacetamide;2-(2-phenyl-3H-benzimidazol-5-yl)-1-(4-pyrrol-1-ylphenyl)ethanone
CID 158003360
N-tert-butyl-N'-(2-ethyl-3-methoxybenzoyl)-3H-benzimidazole-5-carbohydrazide;N-tert-butyl-N'-(2-ethyl-3-methoxybenzoyl)-3-tritylbenzimidazole-5-carbohydrazide
CID 158016831
2-[4-(1-adamantylcarbamoyl)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methylcyclohexyl)-2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methylphenyl)-2-[4-[(4-methylphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(2-phenylcyclopropyl)-2-[4-[(2-phenylcyclopropyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide
CID 158217360
2,2-dimethyl-7-propan-2-yl-3H-1-benzofuran;3,6-dimethyl-5-propan-2-yl-1H-indole;1-ethyl-4-propan-2-ylindole;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-methyl-6-propan-2-yl-3H-indol-1-ium;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1-benzofuran;4-propan-2-yl-1H-indole
CID 158364823
ethane;methane;2-methylidene-4-propan-2-yl-1,3-dihydroindole;2-methylidene-5-propan-2-yl-1,3-dihydroindole;2-methylidene-6-propan-2-yl-1,3-dihydroindole;2-methylidene-7-propan-2-yl-1,3-dihydroindole;bis(4-propan-2-yl-1H-benzimidazole);bis(6-propan-2-yl-1H-benzimidazole);4-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;7-propan-2-yl-1-benzofuran;4-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indene;4-propan-2-yl-2,3-dihydro-1H-indole;5-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-yl-2,3-dihydro-1H-indole;7-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole
CID 158523934
2-[2-(4-acetylphenyl)-3H-benzimidazol-5-yl]-1-(4-pyrrolidin-1-ylphenyl)ethanone;1-[4-(diethylamino)phenyl]-2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone;1-(4-fluorophenyl)-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone;1-(3-methoxyphenyl)-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone;1-(4-methoxyphenyl)-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone;N-[4-[6-(2-oxo-3-phenylpropyl)-1H-benzimidazol-2-yl]phenyl]-2-phenylacetamide;2-(2-phenyl-3H-benzimidazol-5-yl)-1-(4-pyrrol-1-ylphenyl)ethanone
CID 158549168
2-[4-[[(2S)-1-(2,3-difluoro-5,6-dimethoxyphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2S)-1-(3,5-difluoro-2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2S)-1-(2-ethylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[2-oxo-4-[[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]amino]-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one
CID 158911293

Frequently Asked Questions

What is the IUPAC name of 1-(3H-benzimidazol-5-yl)-4-(2-fluorophenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(3-fluorophenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(3-methoxyphenyl)butane-1,4-dione;tris(1-(3H-benzimidazol-5-yl)-4-(4-methylphenyl)butane-1,4-dione);1-(3H-benzimidazol-5-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione?
The IUPAC name of 1-(3H-benzimidazol-5-yl)-4-(2-fluorophenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(3-fluorophenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(3-methoxyphenyl)butane-1,4-dione;tris(1-(3H-benzimidazol-5-yl)-4-(4-methylphenyl)butane-1,4-dione);1-(3H-benzimidazol-5-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione (CID 160597803) is 1-(3H-benzimidazol-5-yl)-4-(2-fluorophenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(3-fluorophenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(3-methoxyphenyl)butane-1,4-dione;tris(1-(3H-benzimidazol-5-yl)-4-(4-methylphenyl)butane-1,4-dione);1-(3H-benzimidazol-5-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione.
What is the SMILES notation for 1-(3H-benzimidazol-5-yl)-4-(2-fluorophenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(3-fluorophenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(3-methoxyphenyl)butane-1,4-dione;tris(1-(3H-benzimidazol-5-yl)-4-(4-methylphenyl)butane-1,4-dione);1-(3H-benzimidazol-5-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione?
The canonical SMILES for 1-(3H-benzimidazol-5-yl)-4-(2-fluorophenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(3-fluorophenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(3-methoxyphenyl)butane-1,4-dione;tris(1-(3H-benzimidazol-5-yl)-4-(4-methylphenyl)butane-1,4-dione);1-(3H-benzimidazol-5-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione is COc1cccc(C(=O)CCC(=O)c2ccc3nc[nH]c3c2)c1.COc1ccccc1C(=O)CCC(=O)c1ccc2nc[nH]c2c1.Cc1ccc(C(=O)CCC(=O)c2ccc3nc[nH]c3c2)cc1.Cc1ccc(C(=O)CCC(=O)c2ccc3nc[nH]c3c2)cc1.Cc1ccc(C(=O)CCC(=O)c2ccc3nc[nH]c3c2)cc1.O=C(CCC(=O)c1ccc2nc[nH]c2c1)c1cccc(C(F)(F)F)c1.O=C(CCC(=O)c1ccc2nc[nH]c2c1)c1cccc(F)c1.O=C(CCC(=O)c1ccccc1C(F)(F)F)c1ccc2nc[nH]c2c1.O=C(CCC(=O)c1ccccc1F)c1ccc2nc[nH]c2c1.
What is the InChIKey of 1-(3H-benzimidazol-5-yl)-4-(2-fluorophenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(3-fluorophenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(3-methoxyphenyl)butane-1,4-dione;tris(1-(3H-benzimidazol-5-yl)-4-(4-methylphenyl)butane-1,4-dione);1-(3H-benzimidazol-5-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione?
The InChIKey is RDWGETHVYIRJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H13F3N2O2.2C18H16N2O3.3C18H16N2O2.2C17H13FN2O2/c19-18(20,21)13-3-1-2-11(8-13)16(24)6-7-17(25)12-4-5-14-15(9-12)23-10-22-14;19-18(20,21)13-4-2-1-3-12(13)17(25)8-7-16(24)11-5-6-14-15(9-11)23-10-22-14;1-23-14-4-2-3-12(9-14)17(21)7-8-18(22)13-5-6-15-16(10-13)20-11-19-15;1-23-18-5-3-2-4-13(18)17(22)9-8-16(21)12-6-7-14-15(10-12)20-11-19-14;3*1-12-2-4-13(5-3-12)17(21)8-9-18(22)14-6-7-15-16(10-14)20-11-19-15;18-13-3-1-2-11(8-13)16(21)6-7-17(22)12-4-5-14-15(9-12)20-10-19-14;18-13-4-2-1-3-12(13)17(22)8-7-16(21)11-5-6-14-15(9-11)20-10-19-14/h1-5,8-10H,6-7H2,(H,22,23);1-6,9-10H,7-8H2,(H,22,23);2-6,9-11H,7-8H2,1H3,(H,19,20);2-7,10-11H,8-9H2,1H3,(H,19,20);3*2-7,10-11H,8-9H2,1H3,(H,19,20);1-5,8-10H,6-7H2,(H,19,20);1-6,9-10H,7-8H2,(H,19,20).
What are the key properties of 1-(3H-benzimidazol-5-yl)-4-(2-fluorophenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(3-fluorophenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(3-methoxyphenyl)butane-1,4-dione;tris(1-(3H-benzimidazol-5-yl)-4-(4-methylphenyl)butane-1,4-dione);1-(3H-benzimidazol-5-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione?
1-(3H-benzimidazol-5-yl)-4-(2-fluorophenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(3-fluorophenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(3-methoxyphenyl)butane-1,4-dione;tris(1-(3H-benzimidazol-5-yl)-4-(4-methylphenyl)butane-1,4-dione);1-(3H-benzimidazol-5-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione has a molecular weight of 2778.91 g/mol, XLogP of 33.94, 47 rotatable bonds, 9 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-benzimidazol-5-yl)-4-(2-fluorophenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(3-fluorophenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(3-methoxyphenyl)butane-1,4-dione;tris(1-(3H-benzimidazol-5-yl)-4-(4-methylphenyl)butane-1,4-dione);1-(3H-benzimidazol-5-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione is sourced from PubChem (CID 160597803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).