1-[4-(1-acetyl-2-phenylimidazol-4-yl)phenyl]ethanone;4,5-bis(3-methylphenyl)-3H-pyrazole;5-(4-cyclohexylphenyl)-1-methyl-3-phenylpyrazole;4,5-diphenyl-2H-imidazole;4,5-diphenyl-3H-pyrazole;3-ethyl-1-[4-(2-phenyl-1H-imidazol-5-yl)phenyl]heptan-2-one;1-methoxy-4-[4-(4-methoxyphenyl)cyclopenta-1,3-dien-1-yl]benzene;5-(2-methoxyphenyl)-3-[3-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole;5-(3-methoxyphenyl)-3-[3-[5-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole;methyl 4-(5-phenyl-1H-imidazol-2-yl)benzoate;4-(4-methylphenyl)-2-phenyl-1H-pyrrole;4-(1-methyl-5-phenylpyrrol-3-yl)phenol;molecular fluorine;4-phenyl-5-[3-(5-phenyl-2H-imidazol-4-yl)phenyl]-2H-triazole;[4-(2-phenyl-3H-pyrrol-4-yl)phenyl] 2-ethylhexanoate;hydrofluoride

C277H255F35N34O14 — CID 159213687

IUPAC1-[4-(1-acetyl-2-phenylimidazol-4-yl)phenyl]ethanone;4,5-bis(3-methylphenyl)-3H-pyrazole;5-(4-cyclohexylphenyl)-1-methyl-3-phenylpyrazole;4,5-diphenyl-2H-imidazole;4,5-diphenyl-3H-pyrazole;3-ethyl-1-[4-(2-phenyl-1H-imidazol-5-yl)phenyl]heptan-2-one;1-methoxy-4-[4-(4-methoxyphenyl)cyclopenta-1,3-dien-1-yl]benzene;5-(2-methoxyphenyl)-3-[3-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole;5-(3-methoxyphenyl)-3-[3-[5-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole;methyl 4-(5-phenyl-1H-imidazol-2-yl)benzoate;4-(4-methylphenyl)-2-phenyl-1H-pyrrole;4-(1-methyl-5-phenylpyrrol-3-yl)phenol;molecular fluorine;4-phenyl-5-[3-(5-phenyl-2H-imidazol-4-yl)phenyl]-2H-triazole;[4-(2-phenyl-3H-pyrrol-4-yl)phenyl] 2-ethylhexanoate;hydrofluoride
SMILESCC(=O)c1ccc(-c2cn(C(C)=O)c(-c3ccccc3)n2)cc1.CCCCC(CC)C(=O)Cc1ccc(-c2cnc(-c3ccccc3)[nH]2)cc1.CCCCC(CC)C(=O)Oc1ccc(C2=CN=C(c3ccccc3)C2)cc1.COC(=O)c1ccc(-c2ncc(-c3ccccc3)[nH]2)cc1.COc1ccc(C2=CC=C(c3ccc(OC)cc3)C2)cc1.COc1cccc(-c2nc(-c3cccc(-c4n[nH]c(-c5cccc(OC)c5)n4)c3)n[nH]2)c1.COc1ccccc1-c1nc(-c2cccc(-c3n[nH]c(-c4ccccc4OC)n3)c2)n[nH]1.Cc1ccc(-c2c[nH]c(-c3ccccc3)c2)cc1.Cc1cccc(C2=C(c3cccc(C)c3)N=NC2)c1.Cn1cc(-c2ccc(O)cc2)cc1-c1ccccc1.Cn1nc(-c2ccccc2)cc1-c1ccc(C2CCCCC2)cc1.F.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.c1ccc(C2=C(c3ccccc3)N=NC2)cc1.c1ccc(C2=NCN=C2c2cccc(-c3n[nH]nc3-c3ccccc3)c2)cc1.c1ccc(C2=NCN=C2c2ccccc2)cc1
InChIInChI=1S/2C24H20N6O2.C24H28N2O.C24H27NO2.C23H17N5.C22H24N2.C19H16N2O2.C19H18O2.C17H14N2O2.C17H16N2.C17H15NO.C17H15N.2C15H12N2.17F2.FH/c1-31-19-10-4-8-17(13-19)23-25-21(27-29-23)15-6-3-7-16(12-15)22-26-24(30-28-22)18-9-5-11-20(14-18)32-2;1-31-19-12-5-3-10-17(19)23-25-21(27-29-23)15-8-7-9-16(14-15)22-26-24(30-28-22)18-11-4-6-13-20(18)32-2;1-3-5-9-19(4-2)23(27)16-18-12-14-20(15-13-18)22-17-25-24(26-22)21-10-7-6-8-11-21;1-3-5-9-18(4-2)24(26)27-22-14-12-19(13-15-22)21-16-23(25-17-21)20-10-7-6-8-11-20;1-3-8-16(9-4-1)20-21(25-15-24-20)18-12-7-13-19(14-18)23-22(26-28-27-23)17-10-5-2-6-11-17;1-24-22(16-21(23-24)19-10-6-3-7-11-19)20-14-12-18(13-15-20)17-8-4-2-5-9-17;1-13(22)15-8-10-16(11-9-15)18-12-21(14(2)23)19(20-18)17-6-4-3-5-7-17;1-20-18-9-5-14(6-10-18)16-3-4-17(13-16)15-7-11-19(21-2)12-8-15;1-21-17(20)14-9-7-13(8-10-14)16-18-11-15(19-16)12-5-3-2-4-6-12;1-12-5-3-7-14(9-12)16-11-18-19-17(16)15-8-4-6-13(2)10-15;1-18-12-15(13-7-9-16(19)10-8-13)11-17(18)14-5-3-2-4-6-14;1-13-7-9-14(10-8-13)16-11-17(18-12-16)15-5-3-2-4-6-15;1-3-7-12(8-4-1)14-15(17-11-16-14)13-9-5-2-6-10-13;1-3-7-12(8-4-1)14-11-16-17-15(14)13-9-5-2-6-10-13;17*1-2;/h2*3-14H,1-2H3,(H,25,27,29)(H,26,28,30);6-8,10-15,17,19H,3-5,9,16H2,1-2H3,(H,25,26);6-8,10-15,17-18H,3-5,9,16H2,1-2H3;1-14H,15H2,(H,26,27,28);3,6-7,10-17H,2,4-5,8-9H2,1H3;3-12H,1-2H3;3-12H,13H2,1-2H3;2-11H,1H3,(H,18,19);3-10H,11H2,1-2H3;2-12,19H,1H3;2-12,18H,1H3;2*1-10H,11H2;;;;;;;;;;;;;;;;;;1H
InChIKeyKQUUALZFHYADFZ-UHFFFAOYSA-N
MW4949.24 g/mol
LogP78.46
Rot. Bonds56

About 1-[4-(1-acetyl-2-phenylimidazol-4-yl)phenyl]ethanone;4,5-bis(3-methylphenyl)-3H-pyrazole;5-(4-cyclohexylphenyl)-1-methyl-3-phenylpyrazole;4,5-diphenyl-2H-imidazole;4,5-diphenyl-3H-pyrazole;3-ethyl-1-[4-(2-phenyl-1H-imidazol-5-yl)phenyl]heptan-2-one;1-methoxy-4-[4-(4-methoxyphenyl)cyclopenta-1,3-dien-1-yl]benzene;5-(2-methoxyphenyl)-3-[3-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole;5-(3-methoxyphenyl)-3-[3-[5-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole;methyl 4-(5-phenyl-1H-imidazol-2-yl)benzoate;4-(4-methylphenyl)-2-phenyl-1H-pyrrole;4-(1-methyl-5-phenylpyrrol-3-yl)phenol;molecular fluorine;4-phenyl-5-[3-(5-phenyl-2H-imidazol-4-yl)phenyl]-2H-triazole;[4-(2-phenyl-3H-pyrrol-4-yl)phenyl] 2-ethylhexanoate;hydrofluoride

1-[4-(1-acetyl-2-phenylimidazol-4-yl)phenyl]ethanone;4,5-bis(3-methylphenyl)-3H-pyrazole;5-(4-cyclohexylphenyl)-1-methyl-3-phenylpyrazole;4,5-diphenyl-2H-imidazole;4,5-diphenyl-3H-pyrazole;3-ethyl-1-[4-(2-phenyl-1H-imidazol-5-yl)phenyl]heptan-2-one;1-methoxy-4-[4-(4-methoxyphenyl)cyclopenta-1,3-dien-1-yl]benzene;5-(2-methoxyphenyl)-3-[3-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole;5-(3-methoxyphenyl)-3-[3-[5-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole;methyl 4-(5-phenyl-1H-imidazol-2-yl)benzoate;4-(4-methylphenyl)-2-phenyl-1H-pyrrole;4-(1-methyl-5-phenylpyrrol-3-yl)phenol;molecular fluorine;4-phenyl-5-[3-(5-phenyl-2H-imidazol-4-yl)phenyl]-2H-triazole;[4-(2-phenyl-3H-pyrrol-4-yl)phenyl] 2-ethylhexanoate;hydrofluoride (PubChem CID 159213687) has the molecular formula C277H255F35N34O14 and a molecular weight of 4949.24 g/mol. Its IUPAC name is 1-[4-(1-acetyl-2-phenylimidazol-4-yl)phenyl]ethanone;4,5-bis(3-methylphenyl)-3H-pyrazole;5-(4-cyclohexylphenyl)-1-methyl-3-phenylpyrazole;4,5-diphenyl-2H-imidazole;4,5-diphenyl-3H-pyrazole;3-ethyl-1-[4-(2-phenyl-1H-imidazol-5-yl)phenyl]heptan-2-one;1-methoxy-4-[4-(4-methoxyphenyl)cyclopenta-1,3-dien-1-yl]benzene;5-(2-methoxyphenyl)-3-[3-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole;5-(3-methoxyphenyl)-3-[3-[5-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole;methyl 4-(5-phenyl-1H-imidazol-2-yl)benzoate;4-(4-methylphenyl)-2-phenyl-1H-pyrrole;4-(1-methyl-5-phenylpyrrol-3-yl)phenol;molecular fluorine;4-phenyl-5-[3-(5-phenyl-2H-imidazol-4-yl)phenyl]-2H-triazole;[4-(2-phenyl-3H-pyrrol-4-yl)phenyl] 2-ethylhexanoate;hydrofluoride.

Molecular Properties

Compound Name1-[4-(1-acetyl-2-phenylimidazol-4-yl)phenyl]ethanone;4,5-bis(3-methylphenyl)-3H-pyrazole;5-(4-cyclohexylphenyl)-1-methyl-3-phenylpyrazole;4,5-diphenyl-2H-imidazole;4,5-diphenyl-3H-pyrazole;3-ethyl-1-[4-(2-phenyl-1H-imidazol-5-yl)phenyl]heptan-2-one;1-methoxy-4-[4-(4-methoxyphenyl)cyclopenta-1,3-dien-1-yl]benzene;5-(2-methoxyphenyl)-3-[3-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole;5-(3-methoxyphenyl)-3-[3-[5-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole;methyl 4-(5-phenyl-1H-imidazol-2-yl)benzoate;4-(4-methylphenyl)-2-phenyl-1H-pyrrole;4-(1-methyl-5-phenylpyrrol-3-yl)phenol;molecular fluorine;4-phenyl-5-[3-(5-phenyl-2H-imidazol-4-yl)phenyl]-2H-triazole;[4-(2-phenyl-3H-pyrrol-4-yl)phenyl] 2-ethylhexanoate;hydrofluoride
PubChem CID159213687
Molecular FormulaC277H255F35N34O14
Molecular Weight4949.24 g/mol
Exact Mass4945.97
IUPAC Name1-[4-(1-acetyl-2-phenylimidazol-4-yl)phenyl]ethanone;4,5-bis(3-methylphenyl)-3H-pyrazole;5-(4-cyclohexylphenyl)-1-methyl-3-phenylpyrazole;4,5-diphenyl-2H-imidazole;4,5-diphenyl-3H-pyrazole;3-ethyl-1-[4-(2-phenyl-1H-imidazol-5-yl)phenyl]heptan-2-one;1-methoxy-4-[4-(4-methoxyphenyl)cyclopenta-1,3-dien-1-yl]benzene;5-(2-methoxyphenyl)-3-[3-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole;5-(3-methoxyphenyl)-3-[3-[5-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole;methyl 4-(5-phenyl-1H-imidazol-2-yl)benzoate;4-(4-methylphenyl)-2-phenyl-1H-pyrrole;4-(1-methyl-5-phenylpyrrol-3-yl)phenol;molecular fluorine;4-phenyl-5-[3-(5-phenyl-2H-imidazol-4-yl)phenyl]-2H-triazole;[4-(2-phenyl-3H-pyrrol-4-yl)phenyl] 2-ethylhexanoate;hydrofluoride
SMILESCC(=O)c1ccc(-c2cn(C(C)=O)c(-c3ccccc3)n2)cc1.CCCCC(CC)C(=O)Cc1ccc(-c2cnc(-c3ccccc3)[nH]2)cc1.CCCCC(CC)C(=O)Oc1ccc(C2=CN=C(c3ccccc3)C2)cc1.COC(=O)c1ccc(-c2ncc(-c3ccccc3)[nH]2)cc1.COc1ccc(C2=CC=C(c3ccc(OC)cc3)C2)cc1.COc1cccc(-c2nc(-c3cccc(-c4n[nH]c(-c5cccc(OC)c5)n4)c3)n[nH]2)c1.COc1ccccc1-c1nc(-c2cccc(-c3n[nH]c(-c4ccccc4OC)n3)c2)n[nH]1.Cc1ccc(-c2c[nH]c(-c3ccccc3)c2)cc1.Cc1cccc(C2=C(c3cccc(C)c3)N=NC2)c1.Cn1cc(-c2ccc(O)cc2)cc1-c1ccccc1.Cn1nc(-c2ccccc2)cc1-c1ccc(C2CCCCC2)cc1.F.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.c1ccc(C2=C(c3ccccc3)N=NC2)cc1.c1ccc(C2=NCN=C2c2cccc(-c3n[nH]nc3-c3ccccc3)c2)cc1.c1ccc(C2=NCN=C2c2ccccc2)cc1
InChIInChI=1S/2C24H20N6O2.C24H28N2O.C24H27NO2.C23H17N5.C22H24N2.C19H16N2O2.C19H18O2.C17H14N2O2.C17H16N2.C17H15NO.C17H15N.2C15H12N2.17F2.FH/c1-31-19-10-4-8-17(13-19)23-25-21(27-29-23)15-6-3-7-16(12-15)22-26-24(30-28-22)18-9-5-11-20(14-18)32-2;1-31-19-12-5-3-10-17(19)23-25-21(27-29-23)15-8-7-9-16(14-15)22-26-24(30-28-22)18-11-4-6-13-20(18)32-2;1-3-5-9-19(4-2)23(27)16-18-12-14-20(15-13-18)22-17-25-24(26-22)21-10-7-6-8-11-21;1-3-5-9-18(4-2)24(26)27-22-14-12-19(13-15-22)21-16-23(25-17-21)20-10-7-6-8-11-20;1-3-8-16(9-4-1)20-21(25-15-24-20)18-12-7-13-19(14-18)23-22(26-28-27-23)17-10-5-2-6-11-17;1-24-22(16-21(23-24)19-10-6-3-7-11-19)20-14-12-18(13-15-20)17-8-4-2-5-9-17;1-13(22)15-8-10-16(11-9-15)18-12-21(14(2)23)19(20-18)17-6-4-3-5-7-17;1-20-18-9-5-14(6-10-18)16-3-4-17(13-16)15-7-11-19(21-2)12-8-15;1-21-17(20)14-9-7-13(8-10-14)16-18-11-15(19-16)12-5-3-2-4-6-12;1-12-5-3-7-14(9-12)16-11-18-19-17(16)15-8-4-6-13(2)10-15;1-18-12-15(13-7-9-16(19)10-8-13)11-17(18)14-5-3-2-4-6-14;1-13-7-9-14(10-8-13)16-11-17(18-12-16)15-5-3-2-4-6-15;1-3-7-12(8-4-1)14-15(17-11-16-14)13-9-5-2-6-10-13;1-3-7-12(8-4-1)14-11-16-17-15(14)13-9-5-2-6-10-13;17*1-2;/h2*3-14H,1-2H3,(H,25,27,29)(H,26,28,30);6-8,10-15,17,19H,3-5,9,16H2,1-2H3,(H,25,26);6-8,10-15,17-18H,3-5,9,16H2,1-2H3;1-14H,15H2,(H,26,27,28);3,6-7,10-17H,2,4-5,8-9H2,1H3;3-12H,1-2H3;3-12H,13H2,1-2H3;2-11H,1H3,(H,18,19);3-10H,11H2,1-2H3;2-12,19H,1H3;2-12,18H,1H3;2*1-10H,11H2;;;;;;;;;;;;;;;;;;1H
InChIKeyKQUUALZFHYADFZ-UHFFFAOYSA-N
XLogP78.46
TPSA612.23 Ų
H-Bond Donors9
H-Bond Acceptors40
Rotatable Bonds56
Heavy Atoms360
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004949.24
LogP ≤ 578.46
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1040

Analyze 1-[4-(1-acetyl-2-phenylimidazol-4-yl)phenyl]ethanone;4,5-bis(3-methylphenyl)-3H-pyrazole;5-(4-cyclohexylphenyl)-1-methyl-3-phenylpyrazole;4,5-diphenyl-2H-imidazole;4,5-diphenyl-3H-pyrazole;3-ethyl-1-[4-(2-phenyl-1H-imidazol-5-yl)phenyl]heptan-2-one;1-methoxy-4-[4-(4-methoxyphenyl)cyclopenta-1,3-dien-1-yl]benzene;5-(2-methoxyphenyl)-3-[3-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole;5-(3-methoxyphenyl)-3-[3-[5-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole;methyl 4-(5-phenyl-1H-imidazol-2-yl)benzoate;4-(4-methylphenyl)-2-phenyl-1H-pyrrole;4-(1-methyl-5-phenylpyrrol-3-yl)phenol;molecular fluorine;4-phenyl-5-[3-(5-phenyl-2H-imidazol-4-yl)phenyl]-2H-triazole;[4-(2-phenyl-3H-pyrrol-4-yl)phenyl] 2-ethylhexanoate;hydrofluoride with MolForge

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Related Compounds

acetic acid;2-fluoro-N-[2-(2-hydrazinyl-2-oxoethyl)-4-phenylpyrimidin-5-yl]-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;2-fluoro-N-[2-[[4-[[4-(hydroxymethyl)-2-methoxyphenyl]methyl]-1,2,4-triazol-3-yl]methyl]-4-phenylpyrimidin-5-yl]-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;hydrazine;N'-[[4-(hydroxymethyl)-2-methoxyphenyl]methyl]-N,N-dimethylmethanimidamide;methyl 2-[5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-4-phenylpyrimidin-2-yl]acetate;hydrate
CID 158008682
1-(1H-imidazol-2-yl)ethanamine;N-[(1R)-1-(1H-imidazol-2-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[1-(1H-imidazol-2-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;methyl thiohypofluorite;N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid
CID 161281243
N-(1H-benzimidazol-4-ylmethyl)-3-ethoxy-N-methyl-4-(1H-pyrazol-5-yl)benzamide;3-(2,2-difluoroethoxy)-N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenylbenzamide;3-(difluoromethoxy)-4-(3-fluorophenyl)-N-(3H-isoindol-4-ylmethyl)-N-methylbenzamide;3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(2,2,2-trifluoroethyl)benzamide;3-(fluoromethoxy)-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;N-(1H-indazol-7-ylmethyl)-3-(methoxymethyl)-N-methyl-4-phenylbenzamide
CID 167555498
3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)benzamide;3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)benzoic acid;2-[2-ethoxy-4-(2-phenylacetyl)phenyl]-1,7-dihydropurin-6-one;2-[2-ethoxy-4-(1H-pyrazol-5-yl)phenyl]-3,5-dihydropyrrolo[2,3-d]pyrimidin-4-one;2-[2-ethoxy-4-(pyrrolidine-1-carbonyl)phenyl]-1,7-dihydropurin-6-one
CID 157215461
3-[[[(2S)-2-amino-3-(4-carbamoyl-2,6-dimethylphenyl)propanoyl]-[(1S)-1-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]methyl]benzoic acid;5-[[[(2S)-2-amino-3-(4-carbamoyl-2,6-dimethylphenyl)propanoyl]-[(5-phenyl-1H-imidazol-2-yl)methyl]amino]methyl]-2-methoxybenzoic acid;5-[[[(2S)-2-amino-3-(4-carbamoylphenyl)propanoyl]-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]methyl]-2-methoxybenzoic acid;4-[(2S)-2-amino-3-[[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]methyl-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]-3-oxopropyl]-3,5-dimethylbenzamide
CID 157412309
6-tert-butyl-1H-indole;6-tert-butyl-2-methyl-1H-benzimidazole;6-tert-butyl-3-methyl-2H-indazole;4-tert-butyl-1-methyl-2-phenoxybenzene;1-[2-(2-hydroxyethyl)-3H-benzimidazol-5-yl]-2-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(5-methyl-1H-imidazol-3-ium-3-yl)phenyl]ethanone
CID 157428022
2-[2-ethoxy-4-(hydroxymethyl)phenyl]-1,7-dihydropurin-6-one;3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)benzonitrile;2-[2-ethoxy-4-(2-pyridin-3-ylacetyl)phenyl]-1,7-dihydropurin-6-one;2-[2-ethoxy-4-(2H-tetrazol-5-yl)phenyl]-1,7-dihydropurin-6-one;4-(6-oxo-1,7-dihydropurin-2-yl)benzoic acid
CID 157542207
2-(4-Cyclopropyl-2-ethoxyphenyl)-1,7-dihydropurin-6-one;2-[4-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]pyrazol-1-yl]acetic acid;5-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]pyridine-2-carboxylic acid;ethyl 2-[4-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]pyrazol-1-yl]acetate;3-[4-(6-oxo-1,7-dihydropurin-2-yl)-3-propoxyphenyl]benzoic acid;2-(4-phenylphenyl)-1,7-dihydropurin-6-one
CID 157834531
3-[2-(4-ethylphenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(3-hydroxyphenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;N-(3-imidazol-1-ylpropyl)-3-[2-(3-methoxyphenyl)ethynyl]-4-pyrazol-1-ylbenzamide;3-[2-(3-methoxyphenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide
CID 157993609
3-(3-fluoro-4-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;3-(3-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;3-(4-methyl-2-oxopentyl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)benzamide;molecular hydrogen;3-(1-phenylpyrazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 158242655
2,3-dimethyl-1-benzofuran;2,4-dimethyl-1-benzofuran;2,5-dimethyl-1-benzofuran;2,6-dimethyl-1-benzofuran;2,7-dimethyl-1-benzofuran;3,4-dimethyl-1-benzofuran;3,5-dimethyl-1-benzofuran;6,7-dimethyl-1-benzofuran;1,4-dimethyl-2,3-dihydropyrrole;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;2,5-dimethyl-1H-imidazole;4,5-dimethyl-1H-imidazole;1,2-dimethylpyrrole;2,3-dimethyl-1H-pyrrole;2,4-dimethyl-1H-pyrrole;2,5-dimethyl-1H-pyrrole;3,4-dimethyl-1H-pyrrole;3,4-dimethyl-1,2,4-triazole;3,5-dimethyl-1H-1,2,4-triazole
CID 158280167
4-(2-amino-5-tert-butyl-1H-imidazol-4-yl)phenol;2-tert-butylcyclohexan-1-one;2-tert-butylfuran;1-tert-butyl-4-methylbenzene;3-tert-butyl-1-methylindole;5-tert-butyl-4-(4-methylphenyl)-1H-imidazol-2-amine;5-tert-butyl-1H-pyrazole;2-tert-butyl-1H-pyrrole;4,4-dimethylpent-1-ene;ethane
CID 158508916

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-acetyl-2-phenylimidazol-4-yl)phenyl]ethanone;4,5-bis(3-methylphenyl)-3H-pyrazole;5-(4-cyclohexylphenyl)-1-methyl-3-phenylpyrazole;4,5-diphenyl-2H-imidazole;4,5-diphenyl-3H-pyrazole;3-ethyl-1-[4-(2-phenyl-1H-imidazol-5-yl)phenyl]heptan-2-one;1-methoxy-4-[4-(4-methoxyphenyl)cyclopenta-1,3-dien-1-yl]benzene;5-(2-methoxyphenyl)-3-[3-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole;5-(3-methoxyphenyl)-3-[3-[5-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole;methyl 4-(5-phenyl-1H-imidazol-2-yl)benzoate;4-(4-methylphenyl)-2-phenyl-1H-pyrrole;4-(1-methyl-5-phenylpyrrol-3-yl)phenol;molecular fluorine;4-phenyl-5-[3-(5-phenyl-2H-imidazol-4-yl)phenyl]-2H-triazole;[4-(2-phenyl-3H-pyrrol-4-yl)phenyl] 2-ethylhexanoate;hydrofluoride?
The IUPAC name of 1-[4-(1-acetyl-2-phenylimidazol-4-yl)phenyl]ethanone;4,5-bis(3-methylphenyl)-3H-pyrazole;5-(4-cyclohexylphenyl)-1-methyl-3-phenylpyrazole;4,5-diphenyl-2H-imidazole;4,5-diphenyl-3H-pyrazole;3-ethyl-1-[4-(2-phenyl-1H-imidazol-5-yl)phenyl]heptan-2-one;1-methoxy-4-[4-(4-methoxyphenyl)cyclopenta-1,3-dien-1-yl]benzene;5-(2-methoxyphenyl)-3-[3-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole;5-(3-methoxyphenyl)-3-[3-[5-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole;methyl 4-(5-phenyl-1H-imidazol-2-yl)benzoate;4-(4-methylphenyl)-2-phenyl-1H-pyrrole;4-(1-methyl-5-phenylpyrrol-3-yl)phenol;molecular fluorine;4-phenyl-5-[3-(5-phenyl-2H-imidazol-4-yl)phenyl]-2H-triazole;[4-(2-phenyl-3H-pyrrol-4-yl)phenyl] 2-ethylhexanoate;hydrofluoride (CID 159213687) is 1-[4-(1-acetyl-2-phenylimidazol-4-yl)phenyl]ethanone;4,5-bis(3-methylphenyl)-3H-pyrazole;5-(4-cyclohexylphenyl)-1-methyl-3-phenylpyrazole;4,5-diphenyl-2H-imidazole;4,5-diphenyl-3H-pyrazole;3-ethyl-1-[4-(2-phenyl-1H-imidazol-5-yl)phenyl]heptan-2-one;1-methoxy-4-[4-(4-methoxyphenyl)cyclopenta-1,3-dien-1-yl]benzene;5-(2-methoxyphenyl)-3-[3-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole;5-(3-methoxyphenyl)-3-[3-[5-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole;methyl 4-(5-phenyl-1H-imidazol-2-yl)benzoate;4-(4-methylphenyl)-2-phenyl-1H-pyrrole;4-(1-methyl-5-phenylpyrrol-3-yl)phenol;molecular fluorine;4-phenyl-5-[3-(5-phenyl-2H-imidazol-4-yl)phenyl]-2H-triazole;[4-(2-phenyl-3H-pyrrol-4-yl)phenyl] 2-ethylhexanoate;hydrofluoride.
What is the SMILES notation for 1-[4-(1-acetyl-2-phenylimidazol-4-yl)phenyl]ethanone;4,5-bis(3-methylphenyl)-3H-pyrazole;5-(4-cyclohexylphenyl)-1-methyl-3-phenylpyrazole;4,5-diphenyl-2H-imidazole;4,5-diphenyl-3H-pyrazole;3-ethyl-1-[4-(2-phenyl-1H-imidazol-5-yl)phenyl]heptan-2-one;1-methoxy-4-[4-(4-methoxyphenyl)cyclopenta-1,3-dien-1-yl]benzene;5-(2-methoxyphenyl)-3-[3-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole;5-(3-methoxyphenyl)-3-[3-[5-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole;methyl 4-(5-phenyl-1H-imidazol-2-yl)benzoate;4-(4-methylphenyl)-2-phenyl-1H-pyrrole;4-(1-methyl-5-phenylpyrrol-3-yl)phenol;molecular fluorine;4-phenyl-5-[3-(5-phenyl-2H-imidazol-4-yl)phenyl]-2H-triazole;[4-(2-phenyl-3H-pyrrol-4-yl)phenyl] 2-ethylhexanoate;hydrofluoride?
The canonical SMILES for 1-[4-(1-acetyl-2-phenylimidazol-4-yl)phenyl]ethanone;4,5-bis(3-methylphenyl)-3H-pyrazole;5-(4-cyclohexylphenyl)-1-methyl-3-phenylpyrazole;4,5-diphenyl-2H-imidazole;4,5-diphenyl-3H-pyrazole;3-ethyl-1-[4-(2-phenyl-1H-imidazol-5-yl)phenyl]heptan-2-one;1-methoxy-4-[4-(4-methoxyphenyl)cyclopenta-1,3-dien-1-yl]benzene;5-(2-methoxyphenyl)-3-[3-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole;5-(3-methoxyphenyl)-3-[3-[5-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole;methyl 4-(5-phenyl-1H-imidazol-2-yl)benzoate;4-(4-methylphenyl)-2-phenyl-1H-pyrrole;4-(1-methyl-5-phenylpyrrol-3-yl)phenol;molecular fluorine;4-phenyl-5-[3-(5-phenyl-2H-imidazol-4-yl)phenyl]-2H-triazole;[4-(2-phenyl-3H-pyrrol-4-yl)phenyl] 2-ethylhexanoate;hydrofluoride is CC(=O)c1ccc(-c2cn(C(C)=O)c(-c3ccccc3)n2)cc1.CCCCC(CC)C(=O)Cc1ccc(-c2cnc(-c3ccccc3)[nH]2)cc1.CCCCC(CC)C(=O)Oc1ccc(C2=CN=C(c3ccccc3)C2)cc1.COC(=O)c1ccc(-c2ncc(-c3ccccc3)[nH]2)cc1.COc1ccc(C2=CC=C(c3ccc(OC)cc3)C2)cc1.COc1cccc(-c2nc(-c3cccc(-c4n[nH]c(-c5cccc(OC)c5)n4)c3)n[nH]2)c1.COc1ccccc1-c1nc(-c2cccc(-c3n[nH]c(-c4ccccc4OC)n3)c2)n[nH]1.Cc1ccc(-c2c[nH]c(-c3ccccc3)c2)cc1.Cc1cccc(C2=C(c3cccc(C)c3)N=NC2)c1.Cn1cc(-c2ccc(O)cc2)cc1-c1ccccc1.Cn1nc(-c2ccccc2)cc1-c1ccc(C2CCCCC2)cc1.F.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.c1ccc(C2=C(c3ccccc3)N=NC2)cc1.c1ccc(C2=NCN=C2c2cccc(-c3n[nH]nc3-c3ccccc3)c2)cc1.c1ccc(C2=NCN=C2c2ccccc2)cc1.
What is the InChIKey of 1-[4-(1-acetyl-2-phenylimidazol-4-yl)phenyl]ethanone;4,5-bis(3-methylphenyl)-3H-pyrazole;5-(4-cyclohexylphenyl)-1-methyl-3-phenylpyrazole;4,5-diphenyl-2H-imidazole;4,5-diphenyl-3H-pyrazole;3-ethyl-1-[4-(2-phenyl-1H-imidazol-5-yl)phenyl]heptan-2-one;1-methoxy-4-[4-(4-methoxyphenyl)cyclopenta-1,3-dien-1-yl]benzene;5-(2-methoxyphenyl)-3-[3-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole;5-(3-methoxyphenyl)-3-[3-[5-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole;methyl 4-(5-phenyl-1H-imidazol-2-yl)benzoate;4-(4-methylphenyl)-2-phenyl-1H-pyrrole;4-(1-methyl-5-phenylpyrrol-3-yl)phenol;molecular fluorine;4-phenyl-5-[3-(5-phenyl-2H-imidazol-4-yl)phenyl]-2H-triazole;[4-(2-phenyl-3H-pyrrol-4-yl)phenyl] 2-ethylhexanoate;hydrofluoride?
The InChIKey is KQUUALZFHYADFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H20N6O2.C24H28N2O.C24H27NO2.C23H17N5.C22H24N2.C19H16N2O2.C19H18O2.C17H14N2O2.C17H16N2.C17H15NO.C17H15N.2C15H12N2.17F2.FH/c1-31-19-10-4-8-17(13-19)23-25-21(27-29-23)15-6-3-7-16(12-15)22-26-24(30-28-22)18-9-5-11-20(14-18)32-2;1-31-19-12-5-3-10-17(19)23-25-21(27-29-23)15-8-7-9-16(14-15)22-26-24(30-28-22)18-11-4-6-13-20(18)32-2;1-3-5-9-19(4-2)23(27)16-18-12-14-20(15-13-18)22-17-25-24(26-22)21-10-7-6-8-11-21;1-3-5-9-18(4-2)24(26)27-22-14-12-19(13-15-22)21-16-23(25-17-21)20-10-7-6-8-11-20;1-3-8-16(9-4-1)20-21(25-15-24-20)18-12-7-13-19(14-18)23-22(26-28-27-23)17-10-5-2-6-11-17;1-24-22(16-21(23-24)19-10-6-3-7-11-19)20-14-12-18(13-15-20)17-8-4-2-5-9-17;1-13(22)15-8-10-16(11-9-15)18-12-21(14(2)23)19(20-18)17-6-4-3-5-7-17;1-20-18-9-5-14(6-10-18)16-3-4-17(13-16)15-7-11-19(21-2)12-8-15;1-21-17(20)14-9-7-13(8-10-14)16-18-11-15(19-16)12-5-3-2-4-6-12;1-12-5-3-7-14(9-12)16-11-18-19-17(16)15-8-4-6-13(2)10-15;1-18-12-15(13-7-9-16(19)10-8-13)11-17(18)14-5-3-2-4-6-14;1-13-7-9-14(10-8-13)16-11-17(18-12-16)15-5-3-2-4-6-15;1-3-7-12(8-4-1)14-15(17-11-16-14)13-9-5-2-6-10-13;1-3-7-12(8-4-1)14-11-16-17-15(14)13-9-5-2-6-10-13;17*1-2;/h2*3-14H,1-2H3,(H,25,27,29)(H,26,28,30);6-8,10-15,17,19H,3-5,9,16H2,1-2H3,(H,25,26);6-8,10-15,17-18H,3-5,9,16H2,1-2H3;1-14H,15H2,(H,26,27,28);3,6-7,10-17H,2,4-5,8-9H2,1H3;3-12H,1-2H3;3-12H,13H2,1-2H3;2-11H,1H3,(H,18,19);3-10H,11H2,1-2H3;2-12,19H,1H3;2-12,18H,1H3;2*1-10H,11H2;;;;;;;;;;;;;;;;;;1H.
What are the key properties of 1-[4-(1-acetyl-2-phenylimidazol-4-yl)phenyl]ethanone;4,5-bis(3-methylphenyl)-3H-pyrazole;5-(4-cyclohexylphenyl)-1-methyl-3-phenylpyrazole;4,5-diphenyl-2H-imidazole;4,5-diphenyl-3H-pyrazole;3-ethyl-1-[4-(2-phenyl-1H-imidazol-5-yl)phenyl]heptan-2-one;1-methoxy-4-[4-(4-methoxyphenyl)cyclopenta-1,3-dien-1-yl]benzene;5-(2-methoxyphenyl)-3-[3-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole;5-(3-methoxyphenyl)-3-[3-[5-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole;methyl 4-(5-phenyl-1H-imidazol-2-yl)benzoate;4-(4-methylphenyl)-2-phenyl-1H-pyrrole;4-(1-methyl-5-phenylpyrrol-3-yl)phenol;molecular fluorine;4-phenyl-5-[3-(5-phenyl-2H-imidazol-4-yl)phenyl]-2H-triazole;[4-(2-phenyl-3H-pyrrol-4-yl)phenyl] 2-ethylhexanoate;hydrofluoride?
1-[4-(1-acetyl-2-phenylimidazol-4-yl)phenyl]ethanone;4,5-bis(3-methylphenyl)-3H-pyrazole;5-(4-cyclohexylphenyl)-1-methyl-3-phenylpyrazole;4,5-diphenyl-2H-imidazole;4,5-diphenyl-3H-pyrazole;3-ethyl-1-[4-(2-phenyl-1H-imidazol-5-yl)phenyl]heptan-2-one;1-methoxy-4-[4-(4-methoxyphenyl)cyclopenta-1,3-dien-1-yl]benzene;5-(2-methoxyphenyl)-3-[3-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole;5-(3-methoxyphenyl)-3-[3-[5-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole;methyl 4-(5-phenyl-1H-imidazol-2-yl)benzoate;4-(4-methylphenyl)-2-phenyl-1H-pyrrole;4-(1-methyl-5-phenylpyrrol-3-yl)phenol;molecular fluorine;4-phenyl-5-[3-(5-phenyl-2H-imidazol-4-yl)phenyl]-2H-triazole;[4-(2-phenyl-3H-pyrrol-4-yl)phenyl] 2-ethylhexanoate;hydrofluoride has a molecular weight of 4949.24 g/mol, XLogP of 78.46, 56 rotatable bonds, 9 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-acetyl-2-phenylimidazol-4-yl)phenyl]ethanone;4,5-bis(3-methylphenyl)-3H-pyrazole;5-(4-cyclohexylphenyl)-1-methyl-3-phenylpyrazole;4,5-diphenyl-2H-imidazole;4,5-diphenyl-3H-pyrazole;3-ethyl-1-[4-(2-phenyl-1H-imidazol-5-yl)phenyl]heptan-2-one;1-methoxy-4-[4-(4-methoxyphenyl)cyclopenta-1,3-dien-1-yl]benzene;5-(2-methoxyphenyl)-3-[3-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole;5-(3-methoxyphenyl)-3-[3-[5-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole;methyl 4-(5-phenyl-1H-imidazol-2-yl)benzoate;4-(4-methylphenyl)-2-phenyl-1H-pyrrole;4-(1-methyl-5-phenylpyrrol-3-yl)phenol;molecular fluorine;4-phenyl-5-[3-(5-phenyl-2H-imidazol-4-yl)phenyl]-2H-triazole;[4-(2-phenyl-3H-pyrrol-4-yl)phenyl] 2-ethylhexanoate;hydrofluoride is sourced from PubChem (CID 159213687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).