1-[4-(dimethylamino)phenyl]-2-[2-[3-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(3H-inden-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1H-indol-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1-methylindol-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1-methylindol-6-yl)-3H-benzimidazol-5-yl]ethanone;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzohydrazide;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzoic acid;methyl 4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzoate

C198H177N27O16 — CID 159734480

IUPAC1-[4-(dimethylamino)phenyl]-2-[2-[3-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(3H-inden-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1H-indol-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1-methylindol-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1-methylindol-6-yl)-3H-benzimidazol-5-yl]ethanone;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzohydrazide;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzoic acid;methyl 4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzoate
SMILESCN(C)c1ccc(C(=O)Cc2ccc3nc(-c4ccc5[nH]ccc5c4)[nH]c3c2)cc1.CN(C)c1ccc(C(=O)Cc2ccc3nc(-c4ccc5c(c4)CC=C5)[nH]c3c2)cc1.CN(C)c1ccc(C(=O)Cc2ccc3nc(-c4ccc5c(ccn5C)c4)[nH]c3c2)cc1.CN(C)c1ccc(C(=O)Cc2ccc3nc(-c4ccc5ccn(C)c5c4)[nH]c3c2)cc1.CN(C)c1ccc(C(=O)Cc2ccc3nc(-c4cccc(N(C)C)c4)[nH]c3c2)cc1.COC(=O)c1ccc(C(=O)Cc2ccc3nc(-c4ccc(OC)cc4)[nH]c3c2)cc1.COc1ccc(-c2nc3ccc(CC(=O)c4ccc(C(=O)NN)cc4)cc3[nH]2)cc1.COc1ccc(-c2nc3ccc(CC(=O)c4ccc(C(=O)O)cc4)cc3[nH]2)cc1
InChIInChI=1S/2C26H24N4O.C26H23N3O.C25H22N4O.C25H26N4O.C24H20N2O4.C23H20N4O3.C23H18N2O4/c1-29(2)21-8-5-18(6-9-21)25(31)15-17-4-10-22-23(14-17)28-26(27-22)20-7-11-24-19(16-20)12-13-30(24)3;1-29(2)21-9-7-19(8-10-21)25(31)15-17-4-11-22-23(14-17)28-26(27-22)20-6-5-18-12-13-30(3)24(18)16-20;1-29(2)22-11-9-19(10-12-22)25(30)15-17-6-13-23-24(14-17)28-26(27-23)21-8-7-18-4-3-5-20(18)16-21;1-29(2)20-7-4-17(5-8-20)24(30)14-16-3-9-22-23(13-16)28-25(27-22)19-6-10-21-18(15-19)11-12-26-21;1-28(2)20-11-9-18(10-12-20)24(30)15-17-8-13-22-23(14-17)27-25(26-22)19-6-5-7-21(16-19)29(3)4;1-29-19-10-8-17(9-11-19)23-25-20-12-3-15(13-21(20)26-23)14-22(27)16-4-6-18(7-5-16)24(28)30-2;1-30-18-9-7-16(8-10-18)22-25-19-11-2-14(12-20(19)26-22)13-21(28)15-3-5-17(6-4-15)23(29)27-24;1-29-18-9-7-16(8-10-18)22-24-19-11-2-14(12-20(19)25-22)13-21(26)15-3-5-17(6-4-15)23(27)28/h2*4-14,16H,15H2,1-3H3,(H,27,28);3-4,6-14,16H,5,15H2,1-2H3,(H,27,28);3-13,15,26H,14H2,1-2H3,(H,27,28);5-14,16H,15H2,1-4H3,(H,26,27);3-13H,14H2,1-2H3,(H,25,26);2-12H,13,24H2,1H3,(H,25,26)(H,27,29);2-12H,13H2,1H3,(H,24,25)(H,27,28)
InChIKeyNBQUNKHVCITASV-UHFFFAOYSA-N
MW3190.77 g/mol
LogP37.79
Rot. Bonds44

About 1-[4-(dimethylamino)phenyl]-2-[2-[3-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(3H-inden-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1H-indol-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1-methylindol-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1-methylindol-6-yl)-3H-benzimidazol-5-yl]ethanone;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzohydrazide;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzoic acid;methyl 4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzoate

1-[4-(dimethylamino)phenyl]-2-[2-[3-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(3H-inden-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1H-indol-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1-methylindol-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1-methylindol-6-yl)-3H-benzimidazol-5-yl]ethanone;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzohydrazide;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzoic acid;methyl 4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzoate (PubChem CID 159734480) has the molecular formula C198H177N27O16 and a molecular weight of 3190.77 g/mol. Its IUPAC name is 1-[4-(dimethylamino)phenyl]-2-[2-[3-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(3H-inden-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1H-indol-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1-methylindol-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1-methylindol-6-yl)-3H-benzimidazol-5-yl]ethanone;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzohydrazide;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzoic acid;methyl 4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzoate.

Molecular Properties

Compound Name1-[4-(dimethylamino)phenyl]-2-[2-[3-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(3H-inden-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1H-indol-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1-methylindol-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1-methylindol-6-yl)-3H-benzimidazol-5-yl]ethanone;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzohydrazide;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzoic acid;methyl 4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzoate
PubChem CID159734480
Molecular FormulaC198H177N27O16
Molecular Weight3190.77 g/mol
Exact Mass3188.39
IUPAC Name1-[4-(dimethylamino)phenyl]-2-[2-[3-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(3H-inden-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1H-indol-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1-methylindol-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1-methylindol-6-yl)-3H-benzimidazol-5-yl]ethanone;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzohydrazide;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzoic acid;methyl 4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzoate
SMILESCN(C)c1ccc(C(=O)Cc2ccc3nc(-c4ccc5[nH]ccc5c4)[nH]c3c2)cc1.CN(C)c1ccc(C(=O)Cc2ccc3nc(-c4ccc5c(c4)CC=C5)[nH]c3c2)cc1.CN(C)c1ccc(C(=O)Cc2ccc3nc(-c4ccc5c(ccn5C)c4)[nH]c3c2)cc1.CN(C)c1ccc(C(=O)Cc2ccc3nc(-c4ccc5ccn(C)c5c4)[nH]c3c2)cc1.CN(C)c1ccc(C(=O)Cc2ccc3nc(-c4cccc(N(C)C)c4)[nH]c3c2)cc1.COC(=O)c1ccc(C(=O)Cc2ccc3nc(-c4ccc(OC)cc4)[nH]c3c2)cc1.COc1ccc(-c2nc3ccc(CC(=O)c4ccc(C(=O)NN)cc4)cc3[nH]2)cc1.COc1ccc(-c2nc3ccc(CC(=O)c4ccc(C(=O)O)cc4)cc3[nH]2)cc1
InChIInChI=1S/2C26H24N4O.C26H23N3O.C25H22N4O.C25H26N4O.C24H20N2O4.C23H20N4O3.C23H18N2O4/c1-29(2)21-8-5-18(6-9-21)25(31)15-17-4-10-22-23(14-17)28-26(27-22)20-7-11-24-19(16-20)12-13-30(24)3;1-29(2)21-9-7-19(8-10-21)25(31)15-17-4-11-22-23(14-17)28-26(27-22)20-6-5-18-12-13-30(3)24(18)16-20;1-29(2)22-11-9-19(10-12-22)25(30)15-17-6-13-23-24(14-17)28-26(27-23)21-8-7-18-4-3-5-20(18)16-21;1-29(2)20-7-4-17(5-8-20)24(30)14-16-3-9-22-23(13-16)28-25(27-22)19-6-10-21-18(15-19)11-12-26-21;1-28(2)20-11-9-18(10-12-20)24(30)15-17-8-13-22-23(14-17)27-25(26-22)19-6-5-7-21(16-19)29(3)4;1-29-19-10-8-17(9-11-19)23-25-20-12-3-15(13-21(20)26-23)14-22(27)16-4-6-18(7-5-16)24(28)30-2;1-30-18-9-7-16(8-10-18)22-25-19-11-2-14(12-20(19)26-22)13-21(28)15-3-5-17(6-4-15)23(29)27-24;1-29-18-9-7-16(8-10-18)22-24-19-11-2-14(12-20(19)25-22)13-21(26)15-3-5-17(6-4-15)23(27)28/h2*4-14,16H,15H2,1-3H3,(H,27,28);3-4,6-14,16H,5,15H2,1-2H3,(H,27,28);3-13,15,26H,14H2,1-2H3,(H,27,28);5-14,16H,15H2,1-4H3,(H,26,27);3-13H,14H2,1-2H3,(H,25,26);2-12H,13,24H2,1H3,(H,25,26)(H,27,29);2-12H,13H2,1H3,(H,24,25)(H,27,28)
InChIKeyNBQUNKHVCITASV-UHFFFAOYSA-N
XLogP37.79
TPSA557.50 Ų
H-Bond Donors12
H-Bond Acceptors32
Rotatable Bonds44
Heavy Atoms241
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003190.77
LogP ≤ 537.79
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[4-(dimethylamino)phenyl]-2-[2-[3-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(3H-inden-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1H-indol-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1-methylindol-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1-methylindol-6-yl)-3H-benzimidazol-5-yl]ethanone;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzohydrazide;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzoic acid;methyl 4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzoate with MolForge

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Related Compounds

3-[[4-[1-cyclohexyl-5-(1H-tetrazol-5-yl)benzimidazol-2-yl]phenoxy]methyl]-N,N-dimethyl-4-[4-(2,2,2-trifluoroacetyl)-1H-indol-6-yl]benzamide
CID 6483303
Glycine, N-[3-[[4-[1-cyclohexyl-5-(1H-tetrazol-5-yl)-1H-benzimidazol-2-yl]phenoxy]methyl]-4-[4-(trifluoroacetyl)-1H-indol-6-yl]benzoyl]-
CID 6483304
3-[[4-[1-cyclohexyl-5-(1H-tetrazol-5-yl)benzimidazol-2-yl]phenoxy]methyl]-4-[4-(2,2,2-trifluoroacetyl)-1H-indol-6-yl]benzamide
CID 6483305
Benzamide, N-(3-amino-3-oxopropyl)-3-[[4-[1-cyclohexyl-5-(1H-tetrazol-5-yl)-1H-benzimidazol-2-yl]phenoxy]methyl]-4-[4-(trifluoroacetyl)-1H-indol-6-yl]-
CID 6483306
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
(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-[(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
2-[[4-[5-(1H-indol-4-yl)-1,2,4-oxadiazol-3-yl]phenyl]methyl-[4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoyl]amino]acetic acid;2-[[4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoyl]-[[4-[5-(1-methylindol-4-yl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]amino]acetic acid;2-[[4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoyl]-[[4-[3-[methyl-[(4-methylphenyl)methyl]carbamoyl]-1,2,4-oxadiazol-5-yl]phenyl]methyl]amino]acetic acid
CID 157160785
CID 158552325
CID 158552325
CID 161921500
CID 161921500
methyl N-[(2S)-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-methyl-1-oxobutan-2-yl]carbamate
CID 163678687
2-[[3-[[4-[1-cyclohexyl-5-(1H-tetrazol-5-yl)benzimidazol-2-yl]phenoxy]methyl]-4-(3-hydroxyphenyl)benzoyl]amino]-3-(1H-indol-2-yl)propanoic acid
CID 6483227

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)phenyl]-2-[2-[3-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(3H-inden-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1H-indol-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1-methylindol-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1-methylindol-6-yl)-3H-benzimidazol-5-yl]ethanone;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzohydrazide;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzoic acid;methyl 4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzoate?
The IUPAC name of 1-[4-(dimethylamino)phenyl]-2-[2-[3-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(3H-inden-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1H-indol-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1-methylindol-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1-methylindol-6-yl)-3H-benzimidazol-5-yl]ethanone;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzohydrazide;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzoic acid;methyl 4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzoate (CID 159734480) is 1-[4-(dimethylamino)phenyl]-2-[2-[3-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(3H-inden-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1H-indol-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1-methylindol-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1-methylindol-6-yl)-3H-benzimidazol-5-yl]ethanone;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzohydrazide;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzoic acid;methyl 4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzoate.
What is the SMILES notation for 1-[4-(dimethylamino)phenyl]-2-[2-[3-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(3H-inden-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1H-indol-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1-methylindol-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1-methylindol-6-yl)-3H-benzimidazol-5-yl]ethanone;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzohydrazide;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzoic acid;methyl 4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzoate?
The canonical SMILES for 1-[4-(dimethylamino)phenyl]-2-[2-[3-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(3H-inden-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1H-indol-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1-methylindol-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1-methylindol-6-yl)-3H-benzimidazol-5-yl]ethanone;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzohydrazide;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzoic acid;methyl 4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzoate is CN(C)c1ccc(C(=O)Cc2ccc3nc(-c4ccc5[nH]ccc5c4)[nH]c3c2)cc1.CN(C)c1ccc(C(=O)Cc2ccc3nc(-c4ccc5c(c4)CC=C5)[nH]c3c2)cc1.CN(C)c1ccc(C(=O)Cc2ccc3nc(-c4ccc5c(ccn5C)c4)[nH]c3c2)cc1.CN(C)c1ccc(C(=O)Cc2ccc3nc(-c4ccc5ccn(C)c5c4)[nH]c3c2)cc1.CN(C)c1ccc(C(=O)Cc2ccc3nc(-c4cccc(N(C)C)c4)[nH]c3c2)cc1.COC(=O)c1ccc(C(=O)Cc2ccc3nc(-c4ccc(OC)cc4)[nH]c3c2)cc1.COc1ccc(-c2nc3ccc(CC(=O)c4ccc(C(=O)NN)cc4)cc3[nH]2)cc1.COc1ccc(-c2nc3ccc(CC(=O)c4ccc(C(=O)O)cc4)cc3[nH]2)cc1.
What is the InChIKey of 1-[4-(dimethylamino)phenyl]-2-[2-[3-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(3H-inden-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1H-indol-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1-methylindol-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1-methylindol-6-yl)-3H-benzimidazol-5-yl]ethanone;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzohydrazide;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzoic acid;methyl 4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzoate?
The InChIKey is NBQUNKHVCITASV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H24N4O.C26H23N3O.C25H22N4O.C25H26N4O.C24H20N2O4.C23H20N4O3.C23H18N2O4/c1-29(2)21-8-5-18(6-9-21)25(31)15-17-4-10-22-23(14-17)28-26(27-22)20-7-11-24-19(16-20)12-13-30(24)3;1-29(2)21-9-7-19(8-10-21)25(31)15-17-4-11-22-23(14-17)28-26(27-22)20-6-5-18-12-13-30(3)24(18)16-20;1-29(2)22-11-9-19(10-12-22)25(30)15-17-6-13-23-24(14-17)28-26(27-23)21-8-7-18-4-3-5-20(18)16-21;1-29(2)20-7-4-17(5-8-20)24(30)14-16-3-9-22-23(13-16)28-25(27-22)19-6-10-21-18(15-19)11-12-26-21;1-28(2)20-11-9-18(10-12-20)24(30)15-17-8-13-22-23(14-17)27-25(26-22)19-6-5-7-21(16-19)29(3)4;1-29-19-10-8-17(9-11-19)23-25-20-12-3-15(13-21(20)26-23)14-22(27)16-4-6-18(7-5-16)24(28)30-2;1-30-18-9-7-16(8-10-18)22-25-19-11-2-14(12-20(19)26-22)13-21(28)15-3-5-17(6-4-15)23(29)27-24;1-29-18-9-7-16(8-10-18)22-24-19-11-2-14(12-20(19)25-22)13-21(26)15-3-5-17(6-4-15)23(27)28/h2*4-14,16H,15H2,1-3H3,(H,27,28);3-4,6-14,16H,5,15H2,1-2H3,(H,27,28);3-13,15,26H,14H2,1-2H3,(H,27,28);5-14,16H,15H2,1-4H3,(H,26,27);3-13H,14H2,1-2H3,(H,25,26);2-12H,13,24H2,1H3,(H,25,26)(H,27,29);2-12H,13H2,1H3,(H,24,25)(H,27,28).
What are the key properties of 1-[4-(dimethylamino)phenyl]-2-[2-[3-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(3H-inden-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1H-indol-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1-methylindol-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1-methylindol-6-yl)-3H-benzimidazol-5-yl]ethanone;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzohydrazide;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzoic acid;methyl 4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzoate?
1-[4-(dimethylamino)phenyl]-2-[2-[3-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(3H-inden-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1H-indol-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1-methylindol-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1-methylindol-6-yl)-3H-benzimidazol-5-yl]ethanone;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzohydrazide;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzoic acid;methyl 4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzoate has a molecular weight of 3190.77 g/mol, XLogP of 37.79, 44 rotatable bonds, 12 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)phenyl]-2-[2-[3-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(3H-inden-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1H-indol-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1-methylindol-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1-methylindol-6-yl)-3H-benzimidazol-5-yl]ethanone;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzohydrazide;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzoic acid;methyl 4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzoate is sourced from PubChem (CID 159734480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).