C292H293FN50O34S — CID 158848106
N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-4-[(E)-2-cyanoethenyl]benzamide;1-N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-3-N,3-N-dimethylbenzene-1,3-dicarboxamide;N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-3-(1,3-dioxolan-2-ylmethyl)benzamide;3-N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-1-N-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxamide;N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-3-(2-hydroxyethyl)benzamide;3-N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-1-N-methylbenzene-1,3-dicarboxamide;N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-4-[(Z)-2-phenylethenyl]benzamide;4-cyano-N-[5-[(2-cyclopentylacetyl)-methylamino]-1-(2-pyridin-3-ylethyl)benzimidazol-2-yl]benzamide;methyl 5-[[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]carbamoyl]thiophene-2-carboxylate (PubChem CID 158848106) has the molecular formula C292H293FN50O34S and a molecular weight of 5097.94 g/mol. Its IUPAC name is N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-4-[(E)-2-cyanoethenyl]benzamide;1-N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-3-N,3-N-dimethylbenzene-1,3-dicarboxamide;N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-3-(1,3-dioxolan-2-ylmethyl)benzamide;3-N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-1-N-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxamide;N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-3-(2-hydroxyethyl)benzamide;3-N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-1-N-methylbenzene-1,3-dicarboxamide;N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-4-[(Z)-2-phenylethenyl]benzamide;4-cyano-N-[5-[(2-cyclopentylacetyl)-methylamino]-1-(2-pyridin-3-ylethyl)benzimidazol-2-yl]benzamide;methyl 5-[[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]carbamoyl]thiophene-2-carboxylate.
| Compound Name | N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-4-[(E)-2-cyanoethenyl]benzamide;1-N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-3-N,3-N-dimethylbenzene-1,3-dicarboxamide;N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-3-(1,3-dioxolan-2-ylmethyl)benzamide;3-N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-1-N-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxamide;N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-3-(2-hydroxyethyl)benzamide;3-N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-1-N-methylbenzene-1,3-dicarboxamide;N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-4-[(Z)-2-phenylethenyl]benzamide;4-cyano-N-[5-[(2-cyclopentylacetyl)-methylamino]-1-(2-pyridin-3-ylethyl)benzimidazol-2-yl]benzamide;methyl 5-[[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]carbamoyl]thiophene-2-carboxylate |
|---|---|
| PubChem CID | 158848106 |
| Molecular Formula | C292H293FN50O34S |
| Molecular Weight | 5097.94 g/mol |
| Exact Mass | 5094.24 |
| IUPAC Name | N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-4-[(E)-2-cyanoethenyl]benzamide;1-N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-3-N,3-N-dimethylbenzene-1,3-dicarboxamide;N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-3-(1,3-dioxolan-2-ylmethyl)benzamide;3-N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-1-N-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxamide;N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-3-(2-hydroxyethyl)benzamide;3-N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-1-N-methylbenzene-1,3-dicarboxamide;N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-4-[(Z)-2-phenylethenyl]benzamide;4-cyano-N-[5-[(2-cyclopentylacetyl)-methylamino]-1-(2-pyridin-3-ylethyl)benzimidazol-2-yl]benzamide;methyl 5-[[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]carbamoyl]thiophene-2-carboxylate |
| SMILES | CN(C(=O)CC1CCCC1)c1ccc2c(c1)nc(NC(=O)c1ccc(C#N)cc1)n2CCc1cccnc1.CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1ccc(/C=C/C#N)cc1)n2CCCN1CCCC1=O.CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1ccc(/C=C\c3ccccc3)cc1)n2CCCN1CCCC1=O.CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1cccc(C(=O)NCc3ccc(F)cc3)c1)n2CCCN1CCCC1=O.CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1cccc(CC3OCCO3)c1)n2CCCN1CCCC1=O.CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1cccc(CCO)c1)n2CCCN1CCCC1=O.CN(C)C(=O)c1cccc(C(=O)Nc2nc3cc(N(C)C(=O)c4ccccc4)ccc3n2CCCN2CCCC2=O)c1.CNC(=O)c1cccc(C(=O)Nc2nc3cc(N(C)C(=O)c4ccccc4)ccc3n2CCCN2CCCC2=O)c1.COC(=O)c1ccc(C(=O)Nc2nc3cc(N(C)C(=O)c4ccccc4)ccc3n2CCCN2CCCC2=O)s1 |
| InChI | InChI=1S/C37H35FN6O4.C37H35N5O3.C33H35N5O5.C32H34N6O4.C32H30N6O3.C31H32N6O4.C31H33N5O4.C30H30N6O2.C29H29N5O5S/c1-42(36(48)26-8-3-2-4-9-26)30-17-18-32-31(23-30)40-37(44(32)21-7-20-43-19-6-12-33(43)45)41-35(47)28-11-5-10-27(22-28)34(46)39-24-25-13-15-29(38)16-14-25;1-40(36(45)30-12-6-3-7-13-30)31-21-22-33-32(26-31)38-37(42(33)25-9-24-41-23-8-14-34(41)43)39-35(44)29-19-17-28(18-20-29)16-15-27-10-4-2-5-11-27;1-36(32(41)24-9-3-2-4-10-24)26-13-14-28-27(22-26)34-33(38(28)17-7-16-37-15-6-12-29(37)39)35-31(40)25-11-5-8-23(20-25)21-30-42-18-19-43-30;1-35(2)30(41)24-13-7-12-23(20-24)29(40)34-32-33-26-21-25(36(3)31(42)22-10-5-4-6-11-22)15-16-27(26)38(32)19-9-18-37-17-8-14-28(37)39;1-36(31(41)25-9-3-2-4-10-25)26-16-17-28-27(22-26)34-32(38(28)21-7-20-37-19-6-11-29(37)39)35-30(40)24-14-12-23(13-15-24)8-5-18-33;1-32-28(39)22-11-6-12-23(19-22)29(40)34-31-33-25-20-24(35(2)30(41)21-9-4-3-5-10-21)14-15-26(25)37(31)18-8-17-36-16-7-13-27(36)38;1-34(30(40)23-9-3-2-4-10-23)25-13-14-27-26(21-25)32-31(36(27)18-7-17-35-16-6-12-28(35)38)33-29(39)24-11-5-8-22(20-24)15-19-37;1-35(28(37)17-21-5-2-3-6-21)25-12-13-27-26(18-25)33-30(36(27)16-14-23-7-4-15-32-20-23)34-29(38)24-10-8-22(19-31)9-11-24;1-32(27(37)19-8-4-3-5-9-19)20-11-12-22-21(18-20)30-29(34(22)17-7-16-33-15-6-10-25(33)35)31-26(36)23-13-14-24(40-23)28(38)39-2/h2-5,8-11,13-18,22-23H,6-7,12,19-21,24H2,1H3,(H,39,46)(H,40,41,47);2-7,10-13,15-22,26H,8-9,14,23-25H2,1H3,(H,38,39,44);2-5,8-11,13-14,20,22,30H,6-7,12,15-19,21H2,1H3,(H,34,35,40);4-7,10-13,15-16,20-21H,8-9,14,17-19H2,1-3H3,(H,33,34,40);2-5,8-10,12-17,22H,6-7,11,19-21H2,1H3,(H,34,35,40);3-6,9-12,14-15,19-20H,7-8,13,16-18H2,1-2H3,(H,32,39)(H,33,34,40);2-5,8-11,13-14,20-21,37H,6-7,12,15-19H2,1H3,(H,32,33,39);4,7-13,15,18,20-21H,2-3,5-6,14,16-17H2,1H3,(H,33,34,38);3-5,8-9,11-14,18H,6-7,10,15-17H2,1-2H3,(H,30,31,36)/b;16-15-;;;8-5+;;;; |
| InChIKey | IZCDSUTUBVSYHJ-HGUNAGPASA-N |
| XLogP | 44.10 |
| TPSA | 971.52 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 56 |
| Rotatable Bonds | 85 |
| Heavy Atoms | 378 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5097.94 |
| LogP ≤ 5 | 44.10 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 56 |