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

C245H214FN27O18 — CID 158003360

IUPAC2-[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
SMILESCC(=O)c1ccc(-c2nc3ccc(CC(=O)c4ccc(N5CCCC5)cc4)cc3[nH]2)cc1.CCN(CC)c1ccc(C(=O)Cc2ccc3nc(-c4ccc(OC)cc4)[nH]c3c2)cc1.CN(C)c1ccc(C(=O)Cc2ccc3nc(-c4ccccc4)[nH]c3c2)cc1.COC(=O)c1ccc(-c2nc3ccc(CC(=O)c4ccc(N(C)C)cc4)cc3[nH]2)cc1.COc1ccc(-c2nc3ccc(CC(=O)c4ccc(N(C)C)cc4)cc3[nH]2)cc1.COc1ccc(C(=O)Cc2ccc3nc(-c4ccccc4)[nH]c3c2)cc1.COc1cccc(C(=O)Cc2ccc3nc(-c4ccccc4)[nH]c3c2)c1.O=C(Cc1ccc2nc(-c3ccccc3)[nH]c2c1)c1ccc(-n2cccc2)cc1.O=C(Cc1ccc2nc(-c3ccccc3)[nH]c2c1)c1ccc(F)cc1.O=C(Cc1ccccc1)Cc1ccc2nc(-c3ccc(NC(=O)Cc4ccccc4)cc3)[nH]c2c1
InChIInChI=1S/C30H25N3O2.C27H25N3O2.C26H27N3O2.C25H23N3O3.C25H19N3O.C24H23N3O2.C23H21N3O.2C22H18N2O2.C21H15FN2O/c34-26(17-21-7-3-1-4-8-21)18-23-11-16-27-28(19-23)33-30(32-27)24-12-14-25(15-13-24)31-29(35)20-22-9-5-2-6-10-22;1-18(31)20-5-7-22(8-6-20)27-28-24-13-4-19(16-25(24)29-27)17-26(32)21-9-11-23(12-10-21)30-14-2-3-15-30;1-4-29(5-2)21-11-7-19(8-12-21)25(30)17-18-6-15-23-24(16-18)28-26(27-23)20-9-13-22(31-3)14-10-20;1-28(2)20-11-9-17(10-12-20)23(29)15-16-4-13-21-22(14-16)27-24(26-21)18-5-7-19(8-6-18)25(30)31-3;29-24(19-9-11-21(12-10-19)28-14-4-5-15-28)17-18-8-13-22-23(16-18)27-25(26-22)20-6-2-1-3-7-20;1-27(2)19-9-5-17(6-10-19)23(28)15-16-4-13-21-22(14-16)26-24(25-21)18-7-11-20(29-3)12-8-18;1-26(2)19-11-9-17(10-12-19)22(27)15-16-8-13-20-21(14-16)25-23(24-20)18-6-4-3-5-7-18;1-26-18-9-5-8-17(14-18)21(25)13-15-10-11-19-20(12-15)24-22(23-19)16-6-3-2-4-7-16;1-26-18-10-8-16(9-11-18)21(25)14-15-7-12-19-20(13-15)24-22(23-19)17-5-3-2-4-6-17;22-17-9-7-15(8-10-17)20(25)13-14-6-11-18-19(12-14)24-21(23-18)16-4-2-1-3-5-16/h1-16,19H,17-18,20H2,(H,31,35)(H,32,33);4-13,16H,2-3,14-15,17H2,1H3,(H,28,29);6-16H,4-5,17H2,1-3H3,(H,27,28);4-14H,15H2,1-3H3,(H,26,27);1-16H,17H2,(H,26,27);4-14H,15H2,1-3H3,(H,25,26);3-14H,15H2,1-2H3,(H,24,25);2-12,14H,13H2,1H3,(H,23,24);2-13H,14H2,1H3,(H,23,24);1-12H,13H2,(H,23,24)
InChIKeyFDZOCEYNKXGJIY-UHFFFAOYSA-N
MW3843.58 g/mol
LogP50.26
Rot. Bonds58

About 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

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 (PubChem CID 158003360) has the molecular formula C245H214FN27O18 and a molecular weight of 3843.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID158003360
Molecular FormulaC245H214FN27O18
Molecular Weight3843.58 g/mol
Exact Mass3840.66
IUPAC Name2-[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
SMILESCC(=O)c1ccc(-c2nc3ccc(CC(=O)c4ccc(N5CCCC5)cc4)cc3[nH]2)cc1.CCN(CC)c1ccc(C(=O)Cc2ccc3nc(-c4ccc(OC)cc4)[nH]c3c2)cc1.CN(C)c1ccc(C(=O)Cc2ccc3nc(-c4ccccc4)[nH]c3c2)cc1.COC(=O)c1ccc(-c2nc3ccc(CC(=O)c4ccc(N(C)C)cc4)cc3[nH]2)cc1.COc1ccc(-c2nc3ccc(CC(=O)c4ccc(N(C)C)cc4)cc3[nH]2)cc1.COc1ccc(C(=O)Cc2ccc3nc(-c4ccccc4)[nH]c3c2)cc1.COc1cccc(C(=O)Cc2ccc3nc(-c4ccccc4)[nH]c3c2)c1.O=C(Cc1ccc2nc(-c3ccccc3)[nH]c2c1)c1ccc(-n2cccc2)cc1.O=C(Cc1ccc2nc(-c3ccccc3)[nH]c2c1)c1ccc(F)cc1.O=C(Cc1ccccc1)Cc1ccc2nc(-c3ccc(NC(=O)Cc4ccccc4)cc3)[nH]c2c1
InChIInChI=1S/C30H25N3O2.C27H25N3O2.C26H27N3O2.C25H23N3O3.C25H19N3O.C24H23N3O2.C23H21N3O.2C22H18N2O2.C21H15FN2O/c34-26(17-21-7-3-1-4-8-21)18-23-11-16-27-28(19-23)33-30(32-27)24-12-14-25(15-13-24)31-29(35)20-22-9-5-2-6-10-22;1-18(31)20-5-7-22(8-6-20)27-28-24-13-4-19(16-25(24)29-27)17-26(32)21-9-11-23(12-10-21)30-14-2-3-15-30;1-4-29(5-2)21-11-7-19(8-12-21)25(30)17-18-6-15-23-24(16-18)28-26(27-23)20-9-13-22(31-3)14-10-20;1-28(2)20-11-9-17(10-12-20)23(29)15-16-4-13-21-22(14-16)27-24(26-21)18-5-7-19(8-6-18)25(30)31-3;29-24(19-9-11-21(12-10-19)28-14-4-5-15-28)17-18-8-13-22-23(16-18)27-25(26-22)20-6-2-1-3-7-20;1-27(2)19-9-5-17(6-10-19)23(28)15-16-4-13-21-22(14-16)26-24(25-21)18-7-11-20(29-3)12-8-18;1-26(2)19-11-9-17(10-12-19)22(27)15-16-8-13-20-21(14-16)25-23(24-20)18-6-4-3-5-7-18;1-26-18-9-5-8-17(14-18)21(25)13-15-10-11-19-20(12-15)24-22(23-19)16-6-3-2-4-7-16;1-26-18-10-8-16(9-11-18)21(25)14-15-7-12-19-20(13-15)24-22(23-19)17-5-3-2-4-6-17;22-17-9-7-15(8-10-17)20(25)13-14-6-11-18-19(12-14)24-21(23-18)16-4-2-1-3-5-16/h1-16,19H,17-18,20H2,(H,31,35)(H,32,33);4-13,16H,2-3,14-15,17H2,1H3,(H,28,29);6-16H,4-5,17H2,1-3H3,(H,27,28);4-14H,15H2,1-3H3,(H,26,27);1-16H,17H2,(H,26,27);4-14H,15H2,1-3H3,(H,25,26);3-14H,15H2,1-2H3,(H,24,25);2-12,14H,13H2,1H3,(H,23,24);2-13H,14H2,1H3,(H,23,24);1-12H,13H2,(H,23,24)
InChIKeyFDZOCEYNKXGJIY-UHFFFAOYSA-N
XLogP50.26
TPSA588.02 Ų
H-Bond Donors11
H-Bond Acceptors34
Rotatable Bonds58
Heavy Atoms291
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003843.58
LogP ≤ 550.26
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1034

Analyze 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 with MolForge

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Related Compounds

US11053243, Example 213
CID 67949560
methyl N-[(2S)-1-[(2S)-2-[5-[3-fluoro-2-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]-1-benzofuran-5-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 53339877
[(1R)-2-[(2S)-2-[5-[3-fluoro-4-[5-[2-[(2S)-1-[(2R)-2-(methoxycarbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-1-benzofuran-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]-methylcarbamic acid
CID 66833679
methyl N-[(1R)-2-[(2S)-2-[5-[3-fluoro-4-[5-[2-[(2S)-1-[(2R)-2-(methoxycarbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-1-benzofuran-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
CID 68052929
(2S)-2-amino-1-[(2S)-2-[7-[5-[2-[(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-3-fluoro-1-benzofuran-2-yl]-3H-benzo[e]benzimidazol-2-yl]pyrrolidin-1-yl]-3-methylbutan-1-one
CID 68274171
methyl N-[(1R)-2-[(2S)-2-[5-[3-fluoro-4-[5-[2-[(2S)-1-[2-(methoxycarbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-1-benzofuran-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
CID 70914791
methyl N-[(1R)-2-[(2S)-2-[5-[3-fluoro-4-[5-[2-[1-[(2R)-2-(methoxycarbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-1-benzofuran-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
CID 71229438
methyl N-[2-[2-[5-[3-fluoro-4-[5-[2-[1-[2-(methoxycarbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-1-benzofuran-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
CID 77449236
methyl N-[(2S)-1-[(2S)-2-[7-[5-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-3-fluoro-1-benzofuran-2-yl]-3H-benzo[e]benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 89638930
methyl N-[2-[2-[5-[3-fluoro-4-[5-[2-[(2S)-1-[(2R)-2-(methoxycarbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-1-benzofuran-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
CID 90145132
[(1R)-2-[(2S)-2-[5-[3-fluoro-4-[5-[2-[(2S)-1-[(2R)-2-(methoxycarbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-1-benzofuran-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamic acid
CID 117661974
methyl 6-[2-[5-[2-[2-fluoro-4-[2-[1-[2-(methoxycarbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1-benzofuran-5-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-6-oxo-5-phenylhexanoate
CID 123210585

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)c1ccc(-c2nc3ccc(CC(=O)c4ccc(N5CCCC5)cc4)cc3[nH]2)cc1.CCN(CC)c1ccc(C(=O)Cc2ccc3nc(-c4ccc(OC)cc4)[nH]c3c2)cc1.CN(C)c1ccc(C(=O)Cc2ccc3nc(-c4ccccc4)[nH]c3c2)cc1.COC(=O)c1ccc(-c2nc3ccc(CC(=O)c4ccc(N(C)C)cc4)cc3[nH]2)cc1.COc1ccc(-c2nc3ccc(CC(=O)c4ccc(N(C)C)cc4)cc3[nH]2)cc1.COc1ccc(C(=O)Cc2ccc3nc(-c4ccccc4)[nH]c3c2)cc1.COc1cccc(C(=O)Cc2ccc3nc(-c4ccccc4)[nH]c3c2)c1.O=C(Cc1ccc2nc(-c3ccccc3)[nH]c2c1)c1ccc(-n2cccc2)cc1.O=C(Cc1ccc2nc(-c3ccccc3)[nH]c2c1)c1ccc(F)cc1.O=C(Cc1ccccc1)Cc1ccc2nc(-c3ccc(NC(=O)Cc4ccccc4)cc3)[nH]c2c1.
What is the InChIKey of 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?
The InChIKey is FDZOCEYNKXGJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N3O2.C27H25N3O2.C26H27N3O2.C25H23N3O3.C25H19N3O.C24H23N3O2.C23H21N3O.2C22H18N2O2.C21H15FN2O/c34-26(17-21-7-3-1-4-8-21)18-23-11-16-27-28(19-23)33-30(32-27)24-12-14-25(15-13-24)31-29(35)20-22-9-5-2-6-10-22;1-18(31)20-5-7-22(8-6-20)27-28-24-13-4-19(16-25(24)29-27)17-26(32)21-9-11-23(12-10-21)30-14-2-3-15-30;1-4-29(5-2)21-11-7-19(8-12-21)25(30)17-18-6-15-23-24(16-18)28-26(27-23)20-9-13-22(31-3)14-10-20;1-28(2)20-11-9-17(10-12-20)23(29)15-16-4-13-21-22(14-16)27-24(26-21)18-5-7-19(8-6-18)25(30)31-3;29-24(19-9-11-21(12-10-19)28-14-4-5-15-28)17-18-8-13-22-23(16-18)27-25(26-22)20-6-2-1-3-7-20;1-27(2)19-9-5-17(6-10-19)23(28)15-16-4-13-21-22(14-16)26-24(25-21)18-7-11-20(29-3)12-8-18;1-26(2)19-11-9-17(10-12-19)22(27)15-16-8-13-20-21(14-16)25-23(24-20)18-6-4-3-5-7-18;1-26-18-9-5-8-17(14-18)21(25)13-15-10-11-19-20(12-15)24-22(23-19)16-6-3-2-4-7-16;1-26-18-10-8-16(9-11-18)21(25)14-15-7-12-19-20(13-15)24-22(23-19)17-5-3-2-4-6-17;22-17-9-7-15(8-10-17)20(25)13-14-6-11-18-19(12-14)24-21(23-18)16-4-2-1-3-5-16/h1-16,19H,17-18,20H2,(H,31,35)(H,32,33);4-13,16H,2-3,14-15,17H2,1H3,(H,28,29);6-16H,4-5,17H2,1-3H3,(H,27,28);4-14H,15H2,1-3H3,(H,26,27);1-16H,17H2,(H,26,27);4-14H,15H2,1-3H3,(H,25,26);3-14H,15H2,1-2H3,(H,24,25);2-12,14H,13H2,1H3,(H,23,24);2-13H,14H2,1H3,(H,23,24);1-12H,13H2,(H,23,24).
What are the key properties of 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?
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 has a molecular weight of 3843.58 g/mol, XLogP of 50.26, 58 rotatable bonds, 11 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158003360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).