N-[4-(6-acetamido-1H-benzimidazol-2-yl)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;1-acetyl-N-[2-[4-[[1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl]amino]phenyl]-3H-benzimidazol-5-yl]piperidine-4-carboxamide;N-[4-[6-(bicyclo[2.2.1]heptane-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[4-[6-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;tert-butyl 4-[[4-[6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]amino]-1H-benzimidazol-2-yl]phenyl]carbamoyl]piperidine-1-carboxylate;N-[4-[6-(cycloheptanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[4-[6-(cyclohexylcarbamoylamino)-1H-benzimidazol-2-yl]phenyl]cyclohexanecarboxamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[4-[6-(piperidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]piperidine-4-carboxamide;N-[4-[6-(pyridine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]pyridine-4-carboxamide;N-[4-[6-(pyrrolidine-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]pyrrolidine-2-carboxamide;N-[4-[6-(1,3-thiazolidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]-1,3-thiazolidine-4-carboxamide

C377H408F3N69O34S2 — CID 158462523

IUPACN-[4-(6-acetamido-1H-benzimidazol-2-yl)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;1-acetyl-N-[2-[4-[[1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl]amino]phenyl]-3H-benzimidazol-5-yl]piperidine-4-carboxamide;N-[4-[6-(bicyclo[2.2.1]heptane-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[4-[6-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;tert-butyl 4-[[4-[6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]amino]-1H-benzimidazol-2-yl]phenyl]carbamoyl]piperidine-1-carboxylate;N-[4-[6-(cycloheptanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[4-[6-(cyclohexylcarbamoylamino)-1H-benzimidazol-2-yl]phenyl]cyclohexanecarboxamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[4-[6-(piperidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]piperidine-4-carboxamide;N-[4-[6-(pyridine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]pyridine-4-carboxamide;N-[4-[6-(pyrrolidine-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]pyrrolidine-2-carboxamide;N-[4-[6-(1,3-thiazolidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]-1,3-thiazolidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2ccc3nc(-c4ccc(NC(=O)C5CCN(C(=O)C(F)(F)F)CC5)cc4)[nH]c3c2)CC1.CC(=O)Nc1ccc2nc(-c3ccc(NC(=O)C4CC5C=CC4C5)cc3)[nH]c2c1.CC(C)(C)OC(=O)N1CCC(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)C5CCN(C(=O)OC(C)(C)C)CC5)cc4[nH]3)cc2)CC1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)C4CC5C=CC4C5)cc3[nH]2)cc1)C1CC2C=CC1C2.O=C(Nc1ccc(-c2nc3ccc(NC(=O)C4CC5CCC4C5)cc3[nH]2)cc1)C1CC2C=CC1C2.O=C(Nc1ccc(-c2nc3ccc(NC(=O)C4CCCN4)cc3[nH]2)cc1)C1CCCN1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)C4CCNCC4)cc3[nH]2)cc1)C1CCNCC1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)C4CSCN4)cc3[nH]2)cc1)C1CSCN1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)c4ccncc4)cc3[nH]2)cc1)c1ccncc1.O=C(Nc1ccc2nc(-c3ccc(NC(=O)C4CC5C=CC4C5)cc3)[nH]c2c1)C1CCCC1.O=C(Nc1ccc2nc(-c3ccc(NC(=O)C4CC5C=CC4C5)cc3)[nH]c2c1)C1CCCCCC1.O=C(Nc1ccc2nc(-c3ccc(NC(=O)C4CC5CCC4C5)cc3)[nH]c2c1)C1CCCC1.O=C(Nc1ccc2nc(-c3ccc(NC(=O)C4CC5CCC4C5)cc3)[nH]c2c1)C1CCCCC1.O=C(Nc1ccc2nc(-c3ccc(NC(=O)C4CCCCC4)cc3)[nH]c2c1)NC1CCCCC1
InChIInChI=1S/C35H46N6O6.C29H31F3N6O4.C29H30N4O2.C29H28N4O2.C29H32N4O2.C28H32N4O2.C27H33N5O2.C27H30N4O2.C27H28N4O2.C25H30N6O2.C25H18N6O2.C23H26N6O2.C23H22N4O2.C21H22N6O2S2/c1-34(2,3)46-32(44)40-17-13-23(14-18-40)30(42)36-25-9-7-22(8-10-25)29-38-27-12-11-26(21-28(27)39-29)37-31(43)24-15-19-41(20-16-24)33(45)47-35(4,5)6;1-17(39)37-12-8-19(9-13-37)27(41)34-22-6-7-23-24(16-22)36-25(35-23)18-2-4-21(5-3-18)33-26(40)20-10-14-38(15-11-20)28(42)29(30,31)32;2*34-28(23-13-16-1-3-19(23)11-16)30-21-7-5-18(6-8-21)27-32-25-10-9-22(15-26(25)33-27)31-29(35)24-14-17-2-4-20(24)12-17;34-28(20-5-3-1-2-4-6-20)31-23-13-14-25-26(17-23)33-27(32-25)19-9-11-22(12-10-19)30-29(35)24-16-18-7-8-21(24)15-18;33-27(19-4-2-1-3-5-19)30-22-12-13-24-25(16-22)32-26(31-24)18-8-10-21(11-9-18)29-28(34)23-15-17-6-7-20(23)14-17;33-26(19-7-3-1-4-8-19)28-21-13-11-18(12-14-21)25-31-23-16-15-22(17-24(23)32-25)30-27(34)29-20-9-5-2-6-10-20;2*32-26(18-3-1-2-4-18)29-21-11-12-23-24(15-21)31-25(30-23)17-7-9-20(10-8-17)28-27(33)22-14-16-5-6-19(22)13-16;2*32-24(17-7-11-26-12-8-17)28-19-3-1-16(2-4-19)23-30-21-6-5-20(15-22(21)31-23)29-25(33)18-9-13-27-14-10-18;30-22(18-3-1-11-24-18)26-15-7-5-14(6-8-15)21-28-17-10-9-16(13-20(17)29-21)27-23(31)19-4-2-12-25-19;1-13(28)24-18-8-9-20-21(12-18)27-22(26-20)15-4-6-17(7-5-15)25-23(29)19-11-14-2-3-16(19)10-14;28-20(17-8-30-10-22-17)24-13-3-1-12(2-4-13)19-26-15-6-5-14(7-16(15)27-19)25-21(29)18-9-31-11-23-18/h7-12,21,23-24H,13-20H2,1-6H3,(H,36,42)(H,37,43)(H,38,39);2-7,16,19-20H,8-15H2,1H3,(H,33,40)(H,34,41)(H,35,36);1,3,5-10,15-17,19-20,23-24H,2,4,11-14H2,(H,30,34)(H,31,35)(H,32,33);1-10,15-17,19-20,23-24H,11-14H2,(H,30,34)(H,31,35)(H,32,33);7-14,17-18,20-21,24H,1-6,15-16H2,(H,30,35)(H,31,34)(H,32,33);8-13,16-17,19-20,23H,1-7,14-15H2,(H,29,34)(H,30,33)(H,31,32);11-17,19-20H,1-10H2,(H,28,33)(H,31,32)(H2,29,30,34);7-12,15-16,18-19,22H,1-6,13-14H2,(H,28,33)(H,29,32)(H,30,31);5-12,15-16,18-19,22H,1-4,13-14H2,(H,28,33)(H,29,32)(H,30,31);1-6,15,17-18,26-27H,7-14H2,(H,28,32)(H,29,33)(H,30,31);1-15H,(H,28,32)(H,29,33)(H,30,31);5-10,13,18-19,24-25H,1-4,11-12H2,(H,26,30)(H,27,31)(H,28,29);2-9,12,14,16,19H,10-11H2,1H3,(H,24,28)(H,25,29)(H,26,27);1-7,17-18,22-23H,8-11H2,(H,24,28)(H,25,29)(H,26,27)
InChIKeyHFIVGMHZPLEPKX-UHFFFAOYSA-N
MW6570.99 g/mol
LogP68.72
Rot. Bonds69

About N-[4-(6-acetamido-1H-benzimidazol-2-yl)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;1-acetyl-N-[2-[4-[[1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl]amino]phenyl]-3H-benzimidazol-5-yl]piperidine-4-carboxamide;N-[4-[6-(bicyclo[2.2.1]heptane-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[4-[6-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;tert-butyl 4-[[4-[6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]amino]-1H-benzimidazol-2-yl]phenyl]carbamoyl]piperidine-1-carboxylate;N-[4-[6-(cycloheptanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[4-[6-(cyclohexylcarbamoylamino)-1H-benzimidazol-2-yl]phenyl]cyclohexanecarboxamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[4-[6-(piperidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]piperidine-4-carboxamide;N-[4-[6-(pyridine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]pyridine-4-carboxamide;N-[4-[6-(pyrrolidine-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]pyrrolidine-2-carboxamide;N-[4-[6-(1,3-thiazolidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]-1,3-thiazolidine-4-carboxamide

N-[4-(6-acetamido-1H-benzimidazol-2-yl)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;1-acetyl-N-[2-[4-[[1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl]amino]phenyl]-3H-benzimidazol-5-yl]piperidine-4-carboxamide;N-[4-[6-(bicyclo[2.2.1]heptane-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[4-[6-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;tert-butyl 4-[[4-[6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]amino]-1H-benzimidazol-2-yl]phenyl]carbamoyl]piperidine-1-carboxylate;N-[4-[6-(cycloheptanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[4-[6-(cyclohexylcarbamoylamino)-1H-benzimidazol-2-yl]phenyl]cyclohexanecarboxamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[4-[6-(piperidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]piperidine-4-carboxamide;N-[4-[6-(pyridine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]pyridine-4-carboxamide;N-[4-[6-(pyrrolidine-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]pyrrolidine-2-carboxamide;N-[4-[6-(1,3-thiazolidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 158462523) has the molecular formula C377H408F3N69O34S2 and a molecular weight of 6570.99 g/mol. Its IUPAC name is N-[4-(6-acetamido-1H-benzimidazol-2-yl)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;1-acetyl-N-[2-[4-[[1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl]amino]phenyl]-3H-benzimidazol-5-yl]piperidine-4-carboxamide;N-[4-[6-(bicyclo[2.2.1]heptane-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[4-[6-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;tert-butyl 4-[[4-[6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]amino]-1H-benzimidazol-2-yl]phenyl]carbamoyl]piperidine-1-carboxylate;N-[4-[6-(cycloheptanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[4-[6-(cyclohexylcarbamoylamino)-1H-benzimidazol-2-yl]phenyl]cyclohexanecarboxamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[4-[6-(piperidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]piperidine-4-carboxamide;N-[4-[6-(pyridine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]pyridine-4-carboxamide;N-[4-[6-(pyrrolidine-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]pyrrolidine-2-carboxamide;N-[4-[6-(1,3-thiazolidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(6-acetamido-1H-benzimidazol-2-yl)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;1-acetyl-N-[2-[4-[[1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl]amino]phenyl]-3H-benzimidazol-5-yl]piperidine-4-carboxamide;N-[4-[6-(bicyclo[2.2.1]heptane-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[4-[6-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;tert-butyl 4-[[4-[6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]amino]-1H-benzimidazol-2-yl]phenyl]carbamoyl]piperidine-1-carboxylate;N-[4-[6-(cycloheptanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[4-[6-(cyclohexylcarbamoylamino)-1H-benzimidazol-2-yl]phenyl]cyclohexanecarboxamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[4-[6-(piperidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]piperidine-4-carboxamide;N-[4-[6-(pyridine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]pyridine-4-carboxamide;N-[4-[6-(pyrrolidine-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]pyrrolidine-2-carboxamide;N-[4-[6-(1,3-thiazolidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]-1,3-thiazolidine-4-carboxamide
PubChem CID158462523
Molecular FormulaC377H408F3N69O34S2
Molecular Weight6570.99 g/mol
Exact Mass6566.17
IUPAC NameN-[4-(6-acetamido-1H-benzimidazol-2-yl)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;1-acetyl-N-[2-[4-[[1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl]amino]phenyl]-3H-benzimidazol-5-yl]piperidine-4-carboxamide;N-[4-[6-(bicyclo[2.2.1]heptane-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[4-[6-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;tert-butyl 4-[[4-[6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]amino]-1H-benzimidazol-2-yl]phenyl]carbamoyl]piperidine-1-carboxylate;N-[4-[6-(cycloheptanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[4-[6-(cyclohexylcarbamoylamino)-1H-benzimidazol-2-yl]phenyl]cyclohexanecarboxamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[4-[6-(piperidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]piperidine-4-carboxamide;N-[4-[6-(pyridine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]pyridine-4-carboxamide;N-[4-[6-(pyrrolidine-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]pyrrolidine-2-carboxamide;N-[4-[6-(1,3-thiazolidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]-1,3-thiazolidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2ccc3nc(-c4ccc(NC(=O)C5CCN(C(=O)C(F)(F)F)CC5)cc4)[nH]c3c2)CC1.CC(=O)Nc1ccc2nc(-c3ccc(NC(=O)C4CC5C=CC4C5)cc3)[nH]c2c1.CC(C)(C)OC(=O)N1CCC(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)C5CCN(C(=O)OC(C)(C)C)CC5)cc4[nH]3)cc2)CC1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)C4CC5C=CC4C5)cc3[nH]2)cc1)C1CC2C=CC1C2.O=C(Nc1ccc(-c2nc3ccc(NC(=O)C4CC5CCC4C5)cc3[nH]2)cc1)C1CC2C=CC1C2.O=C(Nc1ccc(-c2nc3ccc(NC(=O)C4CCCN4)cc3[nH]2)cc1)C1CCCN1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)C4CCNCC4)cc3[nH]2)cc1)C1CCNCC1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)C4CSCN4)cc3[nH]2)cc1)C1CSCN1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)c4ccncc4)cc3[nH]2)cc1)c1ccncc1.O=C(Nc1ccc2nc(-c3ccc(NC(=O)C4CC5C=CC4C5)cc3)[nH]c2c1)C1CCCC1.O=C(Nc1ccc2nc(-c3ccc(NC(=O)C4CC5C=CC4C5)cc3)[nH]c2c1)C1CCCCCC1.O=C(Nc1ccc2nc(-c3ccc(NC(=O)C4CC5CCC4C5)cc3)[nH]c2c1)C1CCCC1.O=C(Nc1ccc2nc(-c3ccc(NC(=O)C4CC5CCC4C5)cc3)[nH]c2c1)C1CCCCC1.O=C(Nc1ccc2nc(-c3ccc(NC(=O)C4CCCCC4)cc3)[nH]c2c1)NC1CCCCC1
InChIInChI=1S/C35H46N6O6.C29H31F3N6O4.C29H30N4O2.C29H28N4O2.C29H32N4O2.C28H32N4O2.C27H33N5O2.C27H30N4O2.C27H28N4O2.C25H30N6O2.C25H18N6O2.C23H26N6O2.C23H22N4O2.C21H22N6O2S2/c1-34(2,3)46-32(44)40-17-13-23(14-18-40)30(42)36-25-9-7-22(8-10-25)29-38-27-12-11-26(21-28(27)39-29)37-31(43)24-15-19-41(20-16-24)33(45)47-35(4,5)6;1-17(39)37-12-8-19(9-13-37)27(41)34-22-6-7-23-24(16-22)36-25(35-23)18-2-4-21(5-3-18)33-26(40)20-10-14-38(15-11-20)28(42)29(30,31)32;2*34-28(23-13-16-1-3-19(23)11-16)30-21-7-5-18(6-8-21)27-32-25-10-9-22(15-26(25)33-27)31-29(35)24-14-17-2-4-20(24)12-17;34-28(20-5-3-1-2-4-6-20)31-23-13-14-25-26(17-23)33-27(32-25)19-9-11-22(12-10-19)30-29(35)24-16-18-7-8-21(24)15-18;33-27(19-4-2-1-3-5-19)30-22-12-13-24-25(16-22)32-26(31-24)18-8-10-21(11-9-18)29-28(34)23-15-17-6-7-20(23)14-17;33-26(19-7-3-1-4-8-19)28-21-13-11-18(12-14-21)25-31-23-16-15-22(17-24(23)32-25)30-27(34)29-20-9-5-2-6-10-20;2*32-26(18-3-1-2-4-18)29-21-11-12-23-24(15-21)31-25(30-23)17-7-9-20(10-8-17)28-27(33)22-14-16-5-6-19(22)13-16;2*32-24(17-7-11-26-12-8-17)28-19-3-1-16(2-4-19)23-30-21-6-5-20(15-22(21)31-23)29-25(33)18-9-13-27-14-10-18;30-22(18-3-1-11-24-18)26-15-7-5-14(6-8-15)21-28-17-10-9-16(13-20(17)29-21)27-23(31)19-4-2-12-25-19;1-13(28)24-18-8-9-20-21(12-18)27-22(26-20)15-4-6-17(7-5-15)25-23(29)19-11-14-2-3-16(19)10-14;28-20(17-8-30-10-22-17)24-13-3-1-12(2-4-13)19-26-15-6-5-14(7-16(15)27-19)25-21(29)18-9-31-11-23-18/h7-12,21,23-24H,13-20H2,1-6H3,(H,36,42)(H,37,43)(H,38,39);2-7,16,19-20H,8-15H2,1H3,(H,33,40)(H,34,41)(H,35,36);1,3,5-10,15-17,19-20,23-24H,2,4,11-14H2,(H,30,34)(H,31,35)(H,32,33);1-10,15-17,19-20,23-24H,11-14H2,(H,30,34)(H,31,35)(H,32,33);7-14,17-18,20-21,24H,1-6,15-16H2,(H,30,35)(H,31,34)(H,32,33);8-13,16-17,19-20,23H,1-7,14-15H2,(H,29,34)(H,30,33)(H,31,32);11-17,19-20H,1-10H2,(H,28,33)(H,31,32)(H2,29,30,34);7-12,15-16,18-19,22H,1-6,13-14H2,(H,28,33)(H,29,32)(H,30,31);5-12,15-16,18-19,22H,1-4,13-14H2,(H,28,33)(H,29,32)(H,30,31);1-6,15,17-18,26-27H,7-14H2,(H,28,32)(H,29,33)(H,30,31);1-15H,(H,28,32)(H,29,33)(H,30,31);5-10,13,18-19,24-25H,1-4,11-12H2,(H,26,30)(H,27,31)(H,28,29);2-9,12,14,16,19H,10-11H2,1H3,(H,24,28)(H,25,29)(H,26,27);1-7,17-18,22-23H,8-11H2,(H,24,28)(H,25,29)(H,26,27)
InChIKeyHFIVGMHZPLEPKX-UHFFFAOYSA-N
XLogP68.72
TPSA1426.01 Ų
H-Bond Donors49
H-Bond Acceptors58
Rotatable Bonds69
Heavy Atoms485
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5006570.99
LogP ≤ 568.72
H-Bond Donors ≤ 549
H-Bond Acceptors ≤ 1058

Analyze N-[4-(6-acetamido-1H-benzimidazol-2-yl)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;1-acetyl-N-[2-[4-[[1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl]amino]phenyl]-3H-benzimidazol-5-yl]piperidine-4-carboxamide;N-[4-[6-(bicyclo[2.2.1]heptane-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[4-[6-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;tert-butyl 4-[[4-[6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]amino]-1H-benzimidazol-2-yl]phenyl]carbamoyl]piperidine-1-carboxylate;N-[4-[6-(cycloheptanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[4-[6-(cyclohexylcarbamoylamino)-1H-benzimidazol-2-yl]phenyl]cyclohexanecarboxamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[4-[6-(piperidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]piperidine-4-carboxamide;N-[4-[6-(pyridine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]pyridine-4-carboxamide;N-[4-[6-(pyrrolidine-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]pyrrolidine-2-carboxamide;N-[4-[6-(1,3-thiazolidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]-1,3-thiazolidine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-(6-acetamido-1H-benzimidazol-2-yl)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;1-acetyl-N-[2-[4-[[1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl]amino]phenyl]-3H-benzimidazol-5-yl]piperidine-4-carboxamide;N-[4-[6-(bicyclo[2.2.1]heptane-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[4-[6-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;tert-butyl 4-[[4-[6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]amino]-1H-benzimidazol-2-yl]phenyl]carbamoyl]piperidine-1-carboxylate;N-[4-[6-(cycloheptanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[4-[6-(cyclohexylcarbamoylamino)-1H-benzimidazol-2-yl]phenyl]cyclohexanecarboxamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[4-[6-(piperidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]piperidine-4-carboxamide;N-[4-[6-(pyridine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]pyridine-4-carboxamide;N-[4-[6-(pyrrolidine-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]pyrrolidine-2-carboxamide;N-[4-[6-(1,3-thiazolidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[4-(6-acetamido-1H-benzimidazol-2-yl)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;1-acetyl-N-[2-[4-[[1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl]amino]phenyl]-3H-benzimidazol-5-yl]piperidine-4-carboxamide;N-[4-[6-(bicyclo[2.2.1]heptane-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[4-[6-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;tert-butyl 4-[[4-[6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]amino]-1H-benzimidazol-2-yl]phenyl]carbamoyl]piperidine-1-carboxylate;N-[4-[6-(cycloheptanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[4-[6-(cyclohexylcarbamoylamino)-1H-benzimidazol-2-yl]phenyl]cyclohexanecarboxamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[4-[6-(piperidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]piperidine-4-carboxamide;N-[4-[6-(pyridine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]pyridine-4-carboxamide;N-[4-[6-(pyrrolidine-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]pyrrolidine-2-carboxamide;N-[4-[6-(1,3-thiazolidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]-1,3-thiazolidine-4-carboxamide (CID 158462523) is N-[4-(6-acetamido-1H-benzimidazol-2-yl)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;1-acetyl-N-[2-[4-[[1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl]amino]phenyl]-3H-benzimidazol-5-yl]piperidine-4-carboxamide;N-[4-[6-(bicyclo[2.2.1]heptane-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[4-[6-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;tert-butyl 4-[[4-[6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]amino]-1H-benzimidazol-2-yl]phenyl]carbamoyl]piperidine-1-carboxylate;N-[4-[6-(cycloheptanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[4-[6-(cyclohexylcarbamoylamino)-1H-benzimidazol-2-yl]phenyl]cyclohexanecarboxamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[4-[6-(piperidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]piperidine-4-carboxamide;N-[4-[6-(pyridine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]pyridine-4-carboxamide;N-[4-[6-(pyrrolidine-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]pyrrolidine-2-carboxamide;N-[4-[6-(1,3-thiazolidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[4-(6-acetamido-1H-benzimidazol-2-yl)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;1-acetyl-N-[2-[4-[[1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl]amino]phenyl]-3H-benzimidazol-5-yl]piperidine-4-carboxamide;N-[4-[6-(bicyclo[2.2.1]heptane-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[4-[6-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;tert-butyl 4-[[4-[6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]amino]-1H-benzimidazol-2-yl]phenyl]carbamoyl]piperidine-1-carboxylate;N-[4-[6-(cycloheptanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[4-[6-(cyclohexylcarbamoylamino)-1H-benzimidazol-2-yl]phenyl]cyclohexanecarboxamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[4-[6-(piperidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]piperidine-4-carboxamide;N-[4-[6-(pyridine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]pyridine-4-carboxamide;N-[4-[6-(pyrrolidine-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]pyrrolidine-2-carboxamide;N-[4-[6-(1,3-thiazolidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[4-(6-acetamido-1H-benzimidazol-2-yl)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;1-acetyl-N-[2-[4-[[1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl]amino]phenyl]-3H-benzimidazol-5-yl]piperidine-4-carboxamide;N-[4-[6-(bicyclo[2.2.1]heptane-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[4-[6-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;tert-butyl 4-[[4-[6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]amino]-1H-benzimidazol-2-yl]phenyl]carbamoyl]piperidine-1-carboxylate;N-[4-[6-(cycloheptanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[4-[6-(cyclohexylcarbamoylamino)-1H-benzimidazol-2-yl]phenyl]cyclohexanecarboxamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[4-[6-(piperidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]piperidine-4-carboxamide;N-[4-[6-(pyridine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]pyridine-4-carboxamide;N-[4-[6-(pyrrolidine-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]pyrrolidine-2-carboxamide;N-[4-[6-(1,3-thiazolidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]-1,3-thiazolidine-4-carboxamide is CC(=O)N1CCC(C(=O)Nc2ccc3nc(-c4ccc(NC(=O)C5CCN(C(=O)C(F)(F)F)CC5)cc4)[nH]c3c2)CC1.CC(=O)Nc1ccc2nc(-c3ccc(NC(=O)C4CC5C=CC4C5)cc3)[nH]c2c1.CC(C)(C)OC(=O)N1CCC(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)C5CCN(C(=O)OC(C)(C)C)CC5)cc4[nH]3)cc2)CC1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)C4CC5C=CC4C5)cc3[nH]2)cc1)C1CC2C=CC1C2.O=C(Nc1ccc(-c2nc3ccc(NC(=O)C4CC5CCC4C5)cc3[nH]2)cc1)C1CC2C=CC1C2.O=C(Nc1ccc(-c2nc3ccc(NC(=O)C4CCCN4)cc3[nH]2)cc1)C1CCCN1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)C4CCNCC4)cc3[nH]2)cc1)C1CCNCC1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)C4CSCN4)cc3[nH]2)cc1)C1CSCN1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)c4ccncc4)cc3[nH]2)cc1)c1ccncc1.O=C(Nc1ccc2nc(-c3ccc(NC(=O)C4CC5C=CC4C5)cc3)[nH]c2c1)C1CCCC1.O=C(Nc1ccc2nc(-c3ccc(NC(=O)C4CC5C=CC4C5)cc3)[nH]c2c1)C1CCCCCC1.O=C(Nc1ccc2nc(-c3ccc(NC(=O)C4CC5CCC4C5)cc3)[nH]c2c1)C1CCCC1.O=C(Nc1ccc2nc(-c3ccc(NC(=O)C4CC5CCC4C5)cc3)[nH]c2c1)C1CCCCC1.O=C(Nc1ccc2nc(-c3ccc(NC(=O)C4CCCCC4)cc3)[nH]c2c1)NC1CCCCC1.
What is the InChIKey of N-[4-(6-acetamido-1H-benzimidazol-2-yl)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;1-acetyl-N-[2-[4-[[1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl]amino]phenyl]-3H-benzimidazol-5-yl]piperidine-4-carboxamide;N-[4-[6-(bicyclo[2.2.1]heptane-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[4-[6-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;tert-butyl 4-[[4-[6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]amino]-1H-benzimidazol-2-yl]phenyl]carbamoyl]piperidine-1-carboxylate;N-[4-[6-(cycloheptanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[4-[6-(cyclohexylcarbamoylamino)-1H-benzimidazol-2-yl]phenyl]cyclohexanecarboxamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[4-[6-(piperidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]piperidine-4-carboxamide;N-[4-[6-(pyridine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]pyridine-4-carboxamide;N-[4-[6-(pyrrolidine-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]pyrrolidine-2-carboxamide;N-[4-[6-(1,3-thiazolidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is HFIVGMHZPLEPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H46N6O6.C29H31F3N6O4.C29H30N4O2.C29H28N4O2.C29H32N4O2.C28H32N4O2.C27H33N5O2.C27H30N4O2.C27H28N4O2.C25H30N6O2.C25H18N6O2.C23H26N6O2.C23H22N4O2.C21H22N6O2S2/c1-34(2,3)46-32(44)40-17-13-23(14-18-40)30(42)36-25-9-7-22(8-10-25)29-38-27-12-11-26(21-28(27)39-29)37-31(43)24-15-19-41(20-16-24)33(45)47-35(4,5)6;1-17(39)37-12-8-19(9-13-37)27(41)34-22-6-7-23-24(16-22)36-25(35-23)18-2-4-21(5-3-18)33-26(40)20-10-14-38(15-11-20)28(42)29(30,31)32;2*34-28(23-13-16-1-3-19(23)11-16)30-21-7-5-18(6-8-21)27-32-25-10-9-22(15-26(25)33-27)31-29(35)24-14-17-2-4-20(24)12-17;34-28(20-5-3-1-2-4-6-20)31-23-13-14-25-26(17-23)33-27(32-25)19-9-11-22(12-10-19)30-29(35)24-16-18-7-8-21(24)15-18;33-27(19-4-2-1-3-5-19)30-22-12-13-24-25(16-22)32-26(31-24)18-8-10-21(11-9-18)29-28(34)23-15-17-6-7-20(23)14-17;33-26(19-7-3-1-4-8-19)28-21-13-11-18(12-14-21)25-31-23-16-15-22(17-24(23)32-25)30-27(34)29-20-9-5-2-6-10-20;2*32-26(18-3-1-2-4-18)29-21-11-12-23-24(15-21)31-25(30-23)17-7-9-20(10-8-17)28-27(33)22-14-16-5-6-19(22)13-16;2*32-24(17-7-11-26-12-8-17)28-19-3-1-16(2-4-19)23-30-21-6-5-20(15-22(21)31-23)29-25(33)18-9-13-27-14-10-18;30-22(18-3-1-11-24-18)26-15-7-5-14(6-8-15)21-28-17-10-9-16(13-20(17)29-21)27-23(31)19-4-2-12-25-19;1-13(28)24-18-8-9-20-21(12-18)27-22(26-20)15-4-6-17(7-5-15)25-23(29)19-11-14-2-3-16(19)10-14;28-20(17-8-30-10-22-17)24-13-3-1-12(2-4-13)19-26-15-6-5-14(7-16(15)27-19)25-21(29)18-9-31-11-23-18/h7-12,21,23-24H,13-20H2,1-6H3,(H,36,42)(H,37,43)(H,38,39);2-7,16,19-20H,8-15H2,1H3,(H,33,40)(H,34,41)(H,35,36);1,3,5-10,15-17,19-20,23-24H,2,4,11-14H2,(H,30,34)(H,31,35)(H,32,33);1-10,15-17,19-20,23-24H,11-14H2,(H,30,34)(H,31,35)(H,32,33);7-14,17-18,20-21,24H,1-6,15-16H2,(H,30,35)(H,31,34)(H,32,33);8-13,16-17,19-20,23H,1-7,14-15H2,(H,29,34)(H,30,33)(H,31,32);11-17,19-20H,1-10H2,(H,28,33)(H,31,32)(H2,29,30,34);7-12,15-16,18-19,22H,1-6,13-14H2,(H,28,33)(H,29,32)(H,30,31);5-12,15-16,18-19,22H,1-4,13-14H2,(H,28,33)(H,29,32)(H,30,31);1-6,15,17-18,26-27H,7-14H2,(H,28,32)(H,29,33)(H,30,31);1-15H,(H,28,32)(H,29,33)(H,30,31);5-10,13,18-19,24-25H,1-4,11-12H2,(H,26,30)(H,27,31)(H,28,29);2-9,12,14,16,19H,10-11H2,1H3,(H,24,28)(H,25,29)(H,26,27);1-7,17-18,22-23H,8-11H2,(H,24,28)(H,25,29)(H,26,27).
What are the key properties of N-[4-(6-acetamido-1H-benzimidazol-2-yl)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;1-acetyl-N-[2-[4-[[1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl]amino]phenyl]-3H-benzimidazol-5-yl]piperidine-4-carboxamide;N-[4-[6-(bicyclo[2.2.1]heptane-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[4-[6-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;tert-butyl 4-[[4-[6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]amino]-1H-benzimidazol-2-yl]phenyl]carbamoyl]piperidine-1-carboxylate;N-[4-[6-(cycloheptanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[4-[6-(cyclohexylcarbamoylamino)-1H-benzimidazol-2-yl]phenyl]cyclohexanecarboxamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[4-[6-(piperidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]piperidine-4-carboxamide;N-[4-[6-(pyridine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]pyridine-4-carboxamide;N-[4-[6-(pyrrolidine-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]pyrrolidine-2-carboxamide;N-[4-[6-(1,3-thiazolidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]-1,3-thiazolidine-4-carboxamide?
N-[4-(6-acetamido-1H-benzimidazol-2-yl)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;1-acetyl-N-[2-[4-[[1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl]amino]phenyl]-3H-benzimidazol-5-yl]piperidine-4-carboxamide;N-[4-[6-(bicyclo[2.2.1]heptane-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[4-[6-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;tert-butyl 4-[[4-[6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]amino]-1H-benzimidazol-2-yl]phenyl]carbamoyl]piperidine-1-carboxylate;N-[4-[6-(cycloheptanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[4-[6-(cyclohexylcarbamoylamino)-1H-benzimidazol-2-yl]phenyl]cyclohexanecarboxamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[4-[6-(piperidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]piperidine-4-carboxamide;N-[4-[6-(pyridine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]pyridine-4-carboxamide;N-[4-[6-(pyrrolidine-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]pyrrolidine-2-carboxamide;N-[4-[6-(1,3-thiazolidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 6570.99 g/mol, XLogP of 68.72, 69 rotatable bonds, 49 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-acetamido-1H-benzimidazol-2-yl)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;1-acetyl-N-[2-[4-[[1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl]amino]phenyl]-3H-benzimidazol-5-yl]piperidine-4-carboxamide;N-[4-[6-(bicyclo[2.2.1]heptane-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[4-[6-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;tert-butyl 4-[[4-[6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]amino]-1H-benzimidazol-2-yl]phenyl]carbamoyl]piperidine-1-carboxylate;N-[4-[6-(cycloheptanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[4-[6-(cyclohexylcarbamoylamino)-1H-benzimidazol-2-yl]phenyl]cyclohexanecarboxamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[4-[6-(piperidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]piperidine-4-carboxamide;N-[4-[6-(pyridine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]pyridine-4-carboxamide;N-[4-[6-(pyrrolidine-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]pyrrolidine-2-carboxamide;N-[4-[6-(1,3-thiazolidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 158462523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).