2-[2-(4-acetylphenyl)-3H-benzimidazol-5-yl]-1-(4-pyrrolidin-1-ylphenyl)ethanone;N-[4-[5-[2-(4-aminophenyl)-2-oxoethyl]-4-chloro-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide;1-[4-(dimethylamino)phenyl]-2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]ethanone;1-[4-[6-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]propan-1-one;1-(4-fluorophenyl)-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone;1-(3-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

C204H173ClFN23O14 — CID 158362983

IUPAC2-[2-(4-acetylphenyl)-3H-benzimidazol-5-yl]-1-(4-pyrrolidin-1-ylphenyl)ethanone;N-[4-[5-[2-(4-aminophenyl)-2-oxoethyl]-4-chloro-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide;1-[4-(dimethylamino)phenyl]-2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]ethanone;1-[4-[6-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]propan-1-one;1-(4-fluorophenyl)-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone;1-(3-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
SMILESCC(=O)c1ccc(-c2nc3ccc(CC(=O)c4ccc(N5CCCC5)cc4)cc3[nH]2)cc1.CCC(=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.COc1cccc(C(=O)Cc2ccc3nc(-c4ccccc4)[nH]c3c2)c1.Cc1ccc(C(=O)Nc2ccc(-c3nc4c(Cl)c(CC(=O)c5ccc(N)cc5)ccc4[nH]3)cc2)cc1.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.C29H23ClN4O2.C27H25N3O2.C26H25N3O2.C25H19N3O.C24H23N3O2.C22H18N2O2.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;1-17-2-4-20(5-3-17)29(36)32-23-13-8-19(9-14-23)28-33-24-15-10-21(26(30)27(24)34-28)16-25(35)18-6-11-22(31)12-7-18;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;1-4-24(30)18-6-8-20(9-7-18)26-27-22-14-5-17(15-23(22)28-26)16-25(31)19-10-12-21(13-11-19)29(2)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;1-26-18-9-5-8-17(14-18)21(25)13-15-10-11-19-20(12-15)24-22(23-19)16-6-3-2-4-7-16;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);2-15H,16,31H2,1H3,(H,32,36)(H,33,34);4-13,16H,2-3,14-15,17H2,1H3,(H,28,29);5-15H,4,16H2,1-3H3,(H,27,28);1-16H,17H2,(H,26,27);4-14H,15H2,1-3H3,(H,25,26);2-12,14H,13H2,1H3,(H,23,24);1-12H,13H2,(H,23,24)
InChIKeyGTRPHHSWNCMFBJ-UHFFFAOYSA-N
MW3225.23 g/mol
LogP42.62
Rot. Bonds47

About 2-[2-(4-acetylphenyl)-3H-benzimidazol-5-yl]-1-(4-pyrrolidin-1-ylphenyl)ethanone;N-[4-[5-[2-(4-aminophenyl)-2-oxoethyl]-4-chloro-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide;1-[4-(dimethylamino)phenyl]-2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]ethanone;1-[4-[6-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]propan-1-one;1-(4-fluorophenyl)-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone;1-(3-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

2-[2-(4-acetylphenyl)-3H-benzimidazol-5-yl]-1-(4-pyrrolidin-1-ylphenyl)ethanone;N-[4-[5-[2-(4-aminophenyl)-2-oxoethyl]-4-chloro-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide;1-[4-(dimethylamino)phenyl]-2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]ethanone;1-[4-[6-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]propan-1-one;1-(4-fluorophenyl)-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone;1-(3-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 (PubChem CID 158362983) has the molecular formula C204H173ClFN23O14 and a molecular weight of 3225.23 g/mol. Its IUPAC name is 2-[2-(4-acetylphenyl)-3H-benzimidazol-5-yl]-1-(4-pyrrolidin-1-ylphenyl)ethanone;N-[4-[5-[2-(4-aminophenyl)-2-oxoethyl]-4-chloro-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide;1-[4-(dimethylamino)phenyl]-2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]ethanone;1-[4-[6-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]propan-1-one;1-(4-fluorophenyl)-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone;1-(3-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.

Molecular Properties

Compound Name2-[2-(4-acetylphenyl)-3H-benzimidazol-5-yl]-1-(4-pyrrolidin-1-ylphenyl)ethanone;N-[4-[5-[2-(4-aminophenyl)-2-oxoethyl]-4-chloro-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide;1-[4-(dimethylamino)phenyl]-2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]ethanone;1-[4-[6-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]propan-1-one;1-(4-fluorophenyl)-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone;1-(3-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
PubChem CID158362983
Molecular FormulaC204H173ClFN23O14
Molecular Weight3225.23 g/mol
Exact Mass3222.32
IUPAC Name2-[2-(4-acetylphenyl)-3H-benzimidazol-5-yl]-1-(4-pyrrolidin-1-ylphenyl)ethanone;N-[4-[5-[2-(4-aminophenyl)-2-oxoethyl]-4-chloro-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide;1-[4-(dimethylamino)phenyl]-2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]ethanone;1-[4-[6-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]propan-1-one;1-(4-fluorophenyl)-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone;1-(3-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
SMILESCC(=O)c1ccc(-c2nc3ccc(CC(=O)c4ccc(N5CCCC5)cc4)cc3[nH]2)cc1.CCC(=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.COc1cccc(C(=O)Cc2ccc3nc(-c4ccccc4)[nH]c3c2)c1.Cc1ccc(C(=O)Nc2ccc(-c3nc4c(Cl)c(CC(=O)c5ccc(N)cc5)ccc4[nH]3)cc2)cc1.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.C29H23ClN4O2.C27H25N3O2.C26H25N3O2.C25H19N3O.C24H23N3O2.C22H18N2O2.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;1-17-2-4-20(5-3-17)29(36)32-23-13-8-19(9-14-23)28-33-24-15-10-21(26(30)27(24)34-28)16-25(35)18-6-11-22(31)12-7-18;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;1-4-24(30)18-6-8-20(9-7-18)26-27-22-14-5-17(15-23(22)28-26)16-25(31)19-10-12-21(13-11-19)29(2)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;1-26-18-9-5-8-17(14-18)21(25)13-15-10-11-19-20(12-15)24-22(23-19)16-6-3-2-4-7-16;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);2-15H,16,31H2,1H3,(H,32,36)(H,33,34);4-13,16H,2-3,14-15,17H2,1H3,(H,28,29);5-15H,4,16H2,1-3H3,(H,27,28);1-16H,17H2,(H,26,27);4-14H,15H2,1-3H3,(H,25,26);2-12,14H,13H2,1H3,(H,23,24);1-12H,13H2,(H,23,24)
InChIKeyGTRPHHSWNCMFBJ-UHFFFAOYSA-N
XLogP42.62
TPSA517.47 Ų
H-Bond Donors11
H-Bond Acceptors27
Rotatable Bonds47
Heavy Atoms243
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003225.23
LogP ≤ 542.62
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-[2-(4-acetylphenyl)-3H-benzimidazol-5-yl]-1-(4-pyrrolidin-1-ylphenyl)ethanone;N-[4-[5-[2-(4-aminophenyl)-2-oxoethyl]-4-chloro-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide;1-[4-(dimethylamino)phenyl]-2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]ethanone;1-[4-[6-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]propan-1-one;1-(4-fluorophenyl)-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone;1-(3-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 with MolForge

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Related Compounds

4-amino-N-[4-[6-[2-(4-aminophenyl)-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;4-amino-N-[4-[5-[2-(4-aminophenyl)-2-oxoethyl]-4-chloro-1H-benzimidazol-2-yl]phenyl]benzamide;N-[(E)-[3-[(E)-(benzoylhydrazinylidene)methyl]phenyl]methylideneamino]benzamide;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzohydrazide;4-(6-phenacyl-1H-benzimidazol-2-yl)-N-phenylbenzamide;2-[4-(4-phenacylbenzoyl)phenyl]-1-phenylethanone
CID 172952731
2-(4-aminophenyl)-N-(3-methoxyphenyl)-3H-benzimidazole-5-carboxamide;N-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-3H-benzimidazole-5-carboxamide
CID 164997337
N-[4-[6-[2-(4-aminophenyl)-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide;1-(3-chlorophenyl)-2-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]ethanone;2-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-1-(1H-indol-5-yl)ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(3H-inden-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]benzoic acid;methyl 4-[2-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]acetyl]benzoate;methyl 4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzoate
CID 159264807
4-[6-[2-[4-[2-hydroxyethyl(methyl)amino]phenyl]-2-oxoethyl]-1H-benzimidazol-2-yl]-N-(4-morpholin-4-ylphenyl)benzamide
CID 148819854
2-[4-(dimethylamino)phenyl]-N-[2-(3-methoxyanilino)-3H-benzimidazol-5-yl]-3H-benzimidazole-5-carboxamide
CID 67113265
N-[2-(4-benzylphenyl)-3H-benzimidazol-5-yl]-4-(dimethylamino)benzamide
CID 67686397
4-[(2-phenylacetyl)amino]-N-[4-[6-[[4-[(2-phenylacetyl)amino]benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 2832124
N-(4-methoxyphenyl)-4-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]benzamide
CID 31910662
1-(3-chlorophenyl)-2-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]ethanone
CID 153248478
N-[4-(dimethylamino)phenyl]-2-[4-[[4-(dimethylamino)phenyl]carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide
CID 67686135
N-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]-2-[4-(dimethylamino)phenyl]-3H-benzimidazole-5-carboxamide
CID 67112793
N-[4-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]-4-(propanoylamino)benzamide
CID 17372812

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-acetylphenyl)-3H-benzimidazol-5-yl]-1-(4-pyrrolidin-1-ylphenyl)ethanone;N-[4-[5-[2-(4-aminophenyl)-2-oxoethyl]-4-chloro-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide;1-[4-(dimethylamino)phenyl]-2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]ethanone;1-[4-[6-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]propan-1-one;1-(4-fluorophenyl)-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone;1-(3-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?
The IUPAC name of 2-[2-(4-acetylphenyl)-3H-benzimidazol-5-yl]-1-(4-pyrrolidin-1-ylphenyl)ethanone;N-[4-[5-[2-(4-aminophenyl)-2-oxoethyl]-4-chloro-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide;1-[4-(dimethylamino)phenyl]-2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]ethanone;1-[4-[6-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]propan-1-one;1-(4-fluorophenyl)-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone;1-(3-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 158362983) is 2-[2-(4-acetylphenyl)-3H-benzimidazol-5-yl]-1-(4-pyrrolidin-1-ylphenyl)ethanone;N-[4-[5-[2-(4-aminophenyl)-2-oxoethyl]-4-chloro-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide;1-[4-(dimethylamino)phenyl]-2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]ethanone;1-[4-[6-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]propan-1-one;1-(4-fluorophenyl)-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone;1-(3-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.
What is the SMILES notation for 2-[2-(4-acetylphenyl)-3H-benzimidazol-5-yl]-1-(4-pyrrolidin-1-ylphenyl)ethanone;N-[4-[5-[2-(4-aminophenyl)-2-oxoethyl]-4-chloro-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide;1-[4-(dimethylamino)phenyl]-2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]ethanone;1-[4-[6-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]propan-1-one;1-(4-fluorophenyl)-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone;1-(3-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?
The canonical SMILES for 2-[2-(4-acetylphenyl)-3H-benzimidazol-5-yl]-1-(4-pyrrolidin-1-ylphenyl)ethanone;N-[4-[5-[2-(4-aminophenyl)-2-oxoethyl]-4-chloro-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide;1-[4-(dimethylamino)phenyl]-2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]ethanone;1-[4-[6-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]propan-1-one;1-(4-fluorophenyl)-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone;1-(3-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 is CC(=O)c1ccc(-c2nc3ccc(CC(=O)c4ccc(N5CCCC5)cc4)cc3[nH]2)cc1.CCC(=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.COc1cccc(C(=O)Cc2ccc3nc(-c4ccccc4)[nH]c3c2)c1.Cc1ccc(C(=O)Nc2ccc(-c3nc4c(Cl)c(CC(=O)c5ccc(N)cc5)ccc4[nH]3)cc2)cc1.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;N-[4-[5-[2-(4-aminophenyl)-2-oxoethyl]-4-chloro-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide;1-[4-(dimethylamino)phenyl]-2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]ethanone;1-[4-[6-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]propan-1-one;1-(4-fluorophenyl)-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone;1-(3-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?
The InChIKey is GTRPHHSWNCMFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N3O2.C29H23ClN4O2.C27H25N3O2.C26H25N3O2.C25H19N3O.C24H23N3O2.C22H18N2O2.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;1-17-2-4-20(5-3-17)29(36)32-23-13-8-19(9-14-23)28-33-24-15-10-21(26(30)27(24)34-28)16-25(35)18-6-11-22(31)12-7-18;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;1-4-24(30)18-6-8-20(9-7-18)26-27-22-14-5-17(15-23(22)28-26)16-25(31)19-10-12-21(13-11-19)29(2)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;1-26-18-9-5-8-17(14-18)21(25)13-15-10-11-19-20(12-15)24-22(23-19)16-6-3-2-4-7-16;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);2-15H,16,31H2,1H3,(H,32,36)(H,33,34);4-13,16H,2-3,14-15,17H2,1H3,(H,28,29);5-15H,4,16H2,1-3H3,(H,27,28);1-16H,17H2,(H,26,27);4-14H,15H2,1-3H3,(H,25,26);2-12,14H,13H2,1H3,(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;N-[4-[5-[2-(4-aminophenyl)-2-oxoethyl]-4-chloro-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide;1-[4-(dimethylamino)phenyl]-2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]ethanone;1-[4-[6-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]propan-1-one;1-(4-fluorophenyl)-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone;1-(3-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?
2-[2-(4-acetylphenyl)-3H-benzimidazol-5-yl]-1-(4-pyrrolidin-1-ylphenyl)ethanone;N-[4-[5-[2-(4-aminophenyl)-2-oxoethyl]-4-chloro-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide;1-[4-(dimethylamino)phenyl]-2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]ethanone;1-[4-[6-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]propan-1-one;1-(4-fluorophenyl)-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone;1-(3-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 has a molecular weight of 3225.23 g/mol, XLogP of 42.62, 47 rotatable bonds, 11 hydrogen bond donors, and 27 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;N-[4-[5-[2-(4-aminophenyl)-2-oxoethyl]-4-chloro-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide;1-[4-(dimethylamino)phenyl]-2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]ethanone;1-[4-[6-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]propan-1-one;1-(4-fluorophenyl)-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone;1-(3-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 is sourced from PubChem (CID 158362983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).