N-[4-[6-(bicyclo[2.2.1]heptane-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;4-tert-butyl-N-[4-[6-[(4-tert-butylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;N-[4-[4-chloro-6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cyclohexanecarboxamide;N-[4-[6-[(2,2-dimethylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]-2,2-dimethylcyclopropane-1-carboxamide;1-phenyl-N-[4-[6-[(1-phenylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;1-phenyl-N-[4-[6-[(1-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclopropane-1-carboxamide;N-[4-[6-(pyrrolidine-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]pyrrolidine-2-carboxamide;trans-(1S,2S)-2-phenyl-N-[4-[6-[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]-1H-benzimidazol-2-yl]phenyl]cyclopropane-1-carboxamide;1-(2,2,2-trifluoroacetyl)-N-[4-[6-[[1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carbonyl]amino]-1H-benzimidazol-2-yl]phenyl]pyrrolidine-2-carboxamide

C271H285ClF6N40O20 — CID 160614958

IUPACN-[4-[6-(bicyclo[2.2.1]heptane-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;4-tert-butyl-N-[4-[6-[(4-tert-butylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;N-[4-[4-chloro-6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cyclohexanecarboxamide;N-[4-[6-[(2,2-dimethylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]-2,2-dimethylcyclopropane-1-carboxamide;1-phenyl-N-[4-[6-[(1-phenylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;1-phenyl-N-[4-[6-[(1-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclopropane-1-carboxamide;N-[4-[6-(pyrrolidine-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]pyrrolidine-2-carboxamide;trans-(1S,2S)-2-phenyl-N-[4-[6-[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]-1H-benzimidazol-2-yl]phenyl]cyclopropane-1-carboxamide;1-(2,2,2-trifluoroacetyl)-N-[4-[6-[[1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carbonyl]amino]-1H-benzimidazol-2-yl]phenyl]pyrrolidine-2-carboxamide
SMILESCC(C)(C)C1CCC(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)C5CCC(C(C)(C)C)CC5)cc4[nH]3)cc2)CC1.CC1(C)CC1C(=O)Nc1ccc(-c2nc3ccc(NC(=O)C4CC4(C)C)cc3[nH]2)cc1.O=C(Nc1ccc(-c2nc3c(Cl)cc(NC(=O)C4CCCCC4)cc3[nH]2)cc1)C1CCCCC1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)C4(c5ccccc5)CC4)cc3[nH]2)cc1)C1(c2ccccc2)CC1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)C4(c5ccccc5)CCCCC4)cc3[nH]2)cc1)C1(c2ccccc2)CCCCC1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)C4CC5CCC4C5)cc3[nH]2)cc1)C1CC2CCC1C2.O=C(Nc1ccc(-c2nc3ccc(NC(=O)C4CCCN4)cc3[nH]2)cc1)C1CCCN1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)C4CCCN4C(=O)C(F)(F)F)cc3[nH]2)cc1)C1CCCN1C(=O)C(F)(F)F.O=C(Nc1ccc(-c2nc3ccc(NC(=O)[C@@H]4C[C@H]4c4ccccc4)cc3[nH]2)cc1)[C@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C39H40N4O2.C35H48N4O2.2C33H28N4O2.C29H32N4O2.C27H31ClN4O2.C27H24F6N6O4.C25H28N4O2.C23H26N6O2/c44-36(38(23-9-3-10-24-38)29-13-5-1-6-14-29)40-31-19-17-28(18-20-31)35-42-33-22-21-32(27-34(33)43-35)41-37(45)39(25-11-4-12-26-39)30-15-7-2-8-16-30;1-34(2,3)25-13-7-23(8-14-25)32(40)36-27-17-11-22(12-18-27)31-38-29-20-19-28(21-30(29)39-31)37-33(41)24-9-15-26(16-10-24)35(4,5)6;38-32(27-18-25(27)20-7-3-1-4-8-20)34-23-13-11-22(12-14-23)31-36-29-16-15-24(17-30(29)37-31)35-33(39)28-19-26(28)21-9-5-2-6-10-21;38-30(32(17-18-32)23-7-3-1-4-8-23)34-25-13-11-22(12-14-25)29-36-27-16-15-26(21-28(27)37-29)35-31(39)33(19-20-33)24-9-5-2-6-10-24;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;28-22-15-21(30-27(34)19-9-5-2-6-10-19)16-23-24(22)32-25(31-23)17-11-13-20(14-12-17)29-26(33)18-7-3-1-4-8-18;28-26(29,30)24(42)38-11-1-3-19(38)22(40)34-15-7-5-14(6-8-15)21-36-17-10-9-16(13-18(17)37-21)35-23(41)20-4-2-12-39(20)25(43)27(31,32)33;1-24(2)12-17(24)22(30)26-15-7-5-14(6-8-15)21-28-19-10-9-16(11-20(19)29-21)27-23(31)18-13-25(18,3)4;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/h1-2,5-8,13-22,27H,3-4,9-12,23-26H2,(H,40,44)(H,41,45)(H,42,43);11-12,17-21,23-26H,7-10,13-16H2,1-6H3,(H,36,40)(H,37,41)(H,38,39);1-17,25-28H,18-19H2,(H,34,38)(H,35,39)(H,36,37);1-16,21H,17-20H2,(H,34,38)(H,35,39)(H,36,37);5-10,15-17,19-20,23-24H,1-4,11-14H2,(H,30,34)(H,31,35)(H,32,33);11-16,18-19H,1-10H2,(H,29,33)(H,30,34)(H,31,32);5-10,13,19-20H,1-4,11-12H2,(H,34,40)(H,35,41)(H,36,37);5-11,17-18H,12-13H2,1-4H3,(H,26,30)(H,27,31)(H,28,29);5-10,13,18-19,24-25H,1-4,11-12H2,(H,26,30)(H,27,31)(H,28,29)/t;;25-,26+,27+,28-;;;;;;/m..1....../s1
InChIKeyRFYVPHLYWSEHKU-WTYZDZNLSA-N
MW4571.96 g/mol
LogP55.93
Rot. Bonds51

About N-[4-[6-(bicyclo[2.2.1]heptane-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;4-tert-butyl-N-[4-[6-[(4-tert-butylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;N-[4-[4-chloro-6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cyclohexanecarboxamide;N-[4-[6-[(2,2-dimethylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]-2,2-dimethylcyclopropane-1-carboxamide;1-phenyl-N-[4-[6-[(1-phenylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;1-phenyl-N-[4-[6-[(1-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclopropane-1-carboxamide;N-[4-[6-(pyrrolidine-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]pyrrolidine-2-carboxamide;trans-(1S,2S)-2-phenyl-N-[4-[6-[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]-1H-benzimidazol-2-yl]phenyl]cyclopropane-1-carboxamide;1-(2,2,2-trifluoroacetyl)-N-[4-[6-[[1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carbonyl]amino]-1H-benzimidazol-2-yl]phenyl]pyrrolidine-2-carboxamide

N-[4-[6-(bicyclo[2.2.1]heptane-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;4-tert-butyl-N-[4-[6-[(4-tert-butylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;N-[4-[4-chloro-6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cyclohexanecarboxamide;N-[4-[6-[(2,2-dimethylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]-2,2-dimethylcyclopropane-1-carboxamide;1-phenyl-N-[4-[6-[(1-phenylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;1-phenyl-N-[4-[6-[(1-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclopropane-1-carboxamide;N-[4-[6-(pyrrolidine-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]pyrrolidine-2-carboxamide;trans-(1S,2S)-2-phenyl-N-[4-[6-[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]-1H-benzimidazol-2-yl]phenyl]cyclopropane-1-carboxamide;1-(2,2,2-trifluoroacetyl)-N-[4-[6-[[1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carbonyl]amino]-1H-benzimidazol-2-yl]phenyl]pyrrolidine-2-carboxamide (PubChem CID 160614958) has the molecular formula C271H285ClF6N40O20 and a molecular weight of 4571.96 g/mol. Its IUPAC name is N-[4-[6-(bicyclo[2.2.1]heptane-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;4-tert-butyl-N-[4-[6-[(4-tert-butylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;N-[4-[4-chloro-6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cyclohexanecarboxamide;N-[4-[6-[(2,2-dimethylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]-2,2-dimethylcyclopropane-1-carboxamide;1-phenyl-N-[4-[6-[(1-phenylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;1-phenyl-N-[4-[6-[(1-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclopropane-1-carboxamide;N-[4-[6-(pyrrolidine-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]pyrrolidine-2-carboxamide;trans-(1S,2S)-2-phenyl-N-[4-[6-[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]-1H-benzimidazol-2-yl]phenyl]cyclopropane-1-carboxamide;1-(2,2,2-trifluoroacetyl)-N-[4-[6-[[1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carbonyl]amino]-1H-benzimidazol-2-yl]phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[6-(bicyclo[2.2.1]heptane-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;4-tert-butyl-N-[4-[6-[(4-tert-butylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;N-[4-[4-chloro-6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cyclohexanecarboxamide;N-[4-[6-[(2,2-dimethylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]-2,2-dimethylcyclopropane-1-carboxamide;1-phenyl-N-[4-[6-[(1-phenylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;1-phenyl-N-[4-[6-[(1-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclopropane-1-carboxamide;N-[4-[6-(pyrrolidine-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]pyrrolidine-2-carboxamide;trans-(1S,2S)-2-phenyl-N-[4-[6-[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]-1H-benzimidazol-2-yl]phenyl]cyclopropane-1-carboxamide;1-(2,2,2-trifluoroacetyl)-N-[4-[6-[[1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carbonyl]amino]-1H-benzimidazol-2-yl]phenyl]pyrrolidine-2-carboxamide
PubChem CID160614958
Molecular FormulaC271H285ClF6N40O20
Molecular Weight4571.96 g/mol
Exact Mass4568.21
IUPAC NameN-[4-[6-(bicyclo[2.2.1]heptane-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;4-tert-butyl-N-[4-[6-[(4-tert-butylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;N-[4-[4-chloro-6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cyclohexanecarboxamide;N-[4-[6-[(2,2-dimethylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]-2,2-dimethylcyclopropane-1-carboxamide;1-phenyl-N-[4-[6-[(1-phenylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;1-phenyl-N-[4-[6-[(1-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclopropane-1-carboxamide;N-[4-[6-(pyrrolidine-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]pyrrolidine-2-carboxamide;trans-(1S,2S)-2-phenyl-N-[4-[6-[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]-1H-benzimidazol-2-yl]phenyl]cyclopropane-1-carboxamide;1-(2,2,2-trifluoroacetyl)-N-[4-[6-[[1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carbonyl]amino]-1H-benzimidazol-2-yl]phenyl]pyrrolidine-2-carboxamide
SMILESCC(C)(C)C1CCC(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)C5CCC(C(C)(C)C)CC5)cc4[nH]3)cc2)CC1.CC1(C)CC1C(=O)Nc1ccc(-c2nc3ccc(NC(=O)C4CC4(C)C)cc3[nH]2)cc1.O=C(Nc1ccc(-c2nc3c(Cl)cc(NC(=O)C4CCCCC4)cc3[nH]2)cc1)C1CCCCC1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)C4(c5ccccc5)CC4)cc3[nH]2)cc1)C1(c2ccccc2)CC1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)C4(c5ccccc5)CCCCC4)cc3[nH]2)cc1)C1(c2ccccc2)CCCCC1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)C4CC5CCC4C5)cc3[nH]2)cc1)C1CC2CCC1C2.O=C(Nc1ccc(-c2nc3ccc(NC(=O)C4CCCN4)cc3[nH]2)cc1)C1CCCN1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)C4CCCN4C(=O)C(F)(F)F)cc3[nH]2)cc1)C1CCCN1C(=O)C(F)(F)F.O=C(Nc1ccc(-c2nc3ccc(NC(=O)[C@@H]4C[C@H]4c4ccccc4)cc3[nH]2)cc1)[C@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C39H40N4O2.C35H48N4O2.2C33H28N4O2.C29H32N4O2.C27H31ClN4O2.C27H24F6N6O4.C25H28N4O2.C23H26N6O2/c44-36(38(23-9-3-10-24-38)29-13-5-1-6-14-29)40-31-19-17-28(18-20-31)35-42-33-22-21-32(27-34(33)43-35)41-37(45)39(25-11-4-12-26-39)30-15-7-2-8-16-30;1-34(2,3)25-13-7-23(8-14-25)32(40)36-27-17-11-22(12-18-27)31-38-29-20-19-28(21-30(29)39-31)37-33(41)24-9-15-26(16-10-24)35(4,5)6;38-32(27-18-25(27)20-7-3-1-4-8-20)34-23-13-11-22(12-14-23)31-36-29-16-15-24(17-30(29)37-31)35-33(39)28-19-26(28)21-9-5-2-6-10-21;38-30(32(17-18-32)23-7-3-1-4-8-23)34-25-13-11-22(12-14-25)29-36-27-16-15-26(21-28(27)37-29)35-31(39)33(19-20-33)24-9-5-2-6-10-24;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;28-22-15-21(30-27(34)19-9-5-2-6-10-19)16-23-24(22)32-25(31-23)17-11-13-20(14-12-17)29-26(33)18-7-3-1-4-8-18;28-26(29,30)24(42)38-11-1-3-19(38)22(40)34-15-7-5-14(6-8-15)21-36-17-10-9-16(13-18(17)37-21)35-23(41)20-4-2-12-39(20)25(43)27(31,32)33;1-24(2)12-17(24)22(30)26-15-7-5-14(6-8-15)21-28-19-10-9-16(11-20(19)29-21)27-23(31)18-13-25(18,3)4;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/h1-2,5-8,13-22,27H,3-4,9-12,23-26H2,(H,40,44)(H,41,45)(H,42,43);11-12,17-21,23-26H,7-10,13-16H2,1-6H3,(H,36,40)(H,37,41)(H,38,39);1-17,25-28H,18-19H2,(H,34,38)(H,35,39)(H,36,37);1-16,21H,17-20H2,(H,34,38)(H,35,39)(H,36,37);5-10,15-17,19-20,23-24H,1-4,11-14H2,(H,30,34)(H,31,35)(H,32,33);11-16,18-19H,1-10H2,(H,29,33)(H,30,34)(H,31,32);5-10,13,19-20H,1-4,11-12H2,(H,34,40)(H,35,41)(H,36,37);5-11,17-18H,12-13H2,1-4H3,(H,26,30)(H,27,31)(H,28,29);5-10,13,18-19,24-25H,1-4,11-12H2,(H,26,30)(H,27,31)(H,28,29)/t;;25-,26+,27+,28-;;;;;;/m..1....../s1
InChIKeyRFYVPHLYWSEHKU-WTYZDZNLSA-N
XLogP55.93
TPSA846.60 Ų
H-Bond Donors29
H-Bond Acceptors31
Rotatable Bonds51
Heavy Atoms338
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004571.96
LogP ≤ 555.93
H-Bond Donors ≤ 529
H-Bond Acceptors ≤ 1031

Analyze N-[4-[6-(bicyclo[2.2.1]heptane-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;4-tert-butyl-N-[4-[6-[(4-tert-butylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;N-[4-[4-chloro-6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cyclohexanecarboxamide;N-[4-[6-[(2,2-dimethylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]-2,2-dimethylcyclopropane-1-carboxamide;1-phenyl-N-[4-[6-[(1-phenylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;1-phenyl-N-[4-[6-[(1-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclopropane-1-carboxamide;N-[4-[6-(pyrrolidine-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]pyrrolidine-2-carboxamide;trans-(1S,2S)-2-phenyl-N-[4-[6-[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]-1H-benzimidazol-2-yl]phenyl]cyclopropane-1-carboxamide;1-(2,2,2-trifluoroacetyl)-N-[4-[6-[[1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carbonyl]amino]-1H-benzimidazol-2-yl]phenyl]pyrrolidine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(bicyclo[2.2.1]heptane-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;4-tert-butyl-N-[4-[6-[(4-tert-butylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;N-[4-[4-chloro-6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cyclohexanecarboxamide;N-[4-[6-[(2,2-dimethylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]-2,2-dimethylcyclopropane-1-carboxamide;1-phenyl-N-[4-[6-[(1-phenylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;1-phenyl-N-[4-[6-[(1-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclopropane-1-carboxamide;N-[4-[6-(pyrrolidine-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]pyrrolidine-2-carboxamide;trans-(1S,2S)-2-phenyl-N-[4-[6-[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]-1H-benzimidazol-2-yl]phenyl]cyclopropane-1-carboxamide;1-(2,2,2-trifluoroacetyl)-N-[4-[6-[[1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carbonyl]amino]-1H-benzimidazol-2-yl]phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[4-[6-(bicyclo[2.2.1]heptane-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;4-tert-butyl-N-[4-[6-[(4-tert-butylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;N-[4-[4-chloro-6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cyclohexanecarboxamide;N-[4-[6-[(2,2-dimethylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]-2,2-dimethylcyclopropane-1-carboxamide;1-phenyl-N-[4-[6-[(1-phenylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;1-phenyl-N-[4-[6-[(1-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclopropane-1-carboxamide;N-[4-[6-(pyrrolidine-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]pyrrolidine-2-carboxamide;trans-(1S,2S)-2-phenyl-N-[4-[6-[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]-1H-benzimidazol-2-yl]phenyl]cyclopropane-1-carboxamide;1-(2,2,2-trifluoroacetyl)-N-[4-[6-[[1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carbonyl]amino]-1H-benzimidazol-2-yl]phenyl]pyrrolidine-2-carboxamide (CID 160614958) is N-[4-[6-(bicyclo[2.2.1]heptane-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;4-tert-butyl-N-[4-[6-[(4-tert-butylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;N-[4-[4-chloro-6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cyclohexanecarboxamide;N-[4-[6-[(2,2-dimethylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]-2,2-dimethylcyclopropane-1-carboxamide;1-phenyl-N-[4-[6-[(1-phenylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;1-phenyl-N-[4-[6-[(1-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclopropane-1-carboxamide;N-[4-[6-(pyrrolidine-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]pyrrolidine-2-carboxamide;trans-(1S,2S)-2-phenyl-N-[4-[6-[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]-1H-benzimidazol-2-yl]phenyl]cyclopropane-1-carboxamide;1-(2,2,2-trifluoroacetyl)-N-[4-[6-[[1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carbonyl]amino]-1H-benzimidazol-2-yl]phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[4-[6-(bicyclo[2.2.1]heptane-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;4-tert-butyl-N-[4-[6-[(4-tert-butylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;N-[4-[4-chloro-6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cyclohexanecarboxamide;N-[4-[6-[(2,2-dimethylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]-2,2-dimethylcyclopropane-1-carboxamide;1-phenyl-N-[4-[6-[(1-phenylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;1-phenyl-N-[4-[6-[(1-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclopropane-1-carboxamide;N-[4-[6-(pyrrolidine-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]pyrrolidine-2-carboxamide;trans-(1S,2S)-2-phenyl-N-[4-[6-[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]-1H-benzimidazol-2-yl]phenyl]cyclopropane-1-carboxamide;1-(2,2,2-trifluoroacetyl)-N-[4-[6-[[1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carbonyl]amino]-1H-benzimidazol-2-yl]phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[4-[6-(bicyclo[2.2.1]heptane-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;4-tert-butyl-N-[4-[6-[(4-tert-butylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;N-[4-[4-chloro-6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cyclohexanecarboxamide;N-[4-[6-[(2,2-dimethylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]-2,2-dimethylcyclopropane-1-carboxamide;1-phenyl-N-[4-[6-[(1-phenylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;1-phenyl-N-[4-[6-[(1-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclopropane-1-carboxamide;N-[4-[6-(pyrrolidine-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]pyrrolidine-2-carboxamide;trans-(1S,2S)-2-phenyl-N-[4-[6-[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]-1H-benzimidazol-2-yl]phenyl]cyclopropane-1-carboxamide;1-(2,2,2-trifluoroacetyl)-N-[4-[6-[[1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carbonyl]amino]-1H-benzimidazol-2-yl]phenyl]pyrrolidine-2-carboxamide is CC(C)(C)C1CCC(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)C5CCC(C(C)(C)C)CC5)cc4[nH]3)cc2)CC1.CC1(C)CC1C(=O)Nc1ccc(-c2nc3ccc(NC(=O)C4CC4(C)C)cc3[nH]2)cc1.O=C(Nc1ccc(-c2nc3c(Cl)cc(NC(=O)C4CCCCC4)cc3[nH]2)cc1)C1CCCCC1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)C4(c5ccccc5)CC4)cc3[nH]2)cc1)C1(c2ccccc2)CC1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)C4(c5ccccc5)CCCCC4)cc3[nH]2)cc1)C1(c2ccccc2)CCCCC1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)C4CC5CCC4C5)cc3[nH]2)cc1)C1CC2CCC1C2.O=C(Nc1ccc(-c2nc3ccc(NC(=O)C4CCCN4)cc3[nH]2)cc1)C1CCCN1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)C4CCCN4C(=O)C(F)(F)F)cc3[nH]2)cc1)C1CCCN1C(=O)C(F)(F)F.O=C(Nc1ccc(-c2nc3ccc(NC(=O)[C@@H]4C[C@H]4c4ccccc4)cc3[nH]2)cc1)[C@H]1C[C@@H]1c1ccccc1.
What is the InChIKey of N-[4-[6-(bicyclo[2.2.1]heptane-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;4-tert-butyl-N-[4-[6-[(4-tert-butylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;N-[4-[4-chloro-6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cyclohexanecarboxamide;N-[4-[6-[(2,2-dimethylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]-2,2-dimethylcyclopropane-1-carboxamide;1-phenyl-N-[4-[6-[(1-phenylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;1-phenyl-N-[4-[6-[(1-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclopropane-1-carboxamide;N-[4-[6-(pyrrolidine-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]pyrrolidine-2-carboxamide;trans-(1S,2S)-2-phenyl-N-[4-[6-[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]-1H-benzimidazol-2-yl]phenyl]cyclopropane-1-carboxamide;1-(2,2,2-trifluoroacetyl)-N-[4-[6-[[1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carbonyl]amino]-1H-benzimidazol-2-yl]phenyl]pyrrolidine-2-carboxamide?
The InChIKey is RFYVPHLYWSEHKU-WTYZDZNLSA-N. The full InChI is InChI=1S/C39H40N4O2.C35H48N4O2.2C33H28N4O2.C29H32N4O2.C27H31ClN4O2.C27H24F6N6O4.C25H28N4O2.C23H26N6O2/c44-36(38(23-9-3-10-24-38)29-13-5-1-6-14-29)40-31-19-17-28(18-20-31)35-42-33-22-21-32(27-34(33)43-35)41-37(45)39(25-11-4-12-26-39)30-15-7-2-8-16-30;1-34(2,3)25-13-7-23(8-14-25)32(40)36-27-17-11-22(12-18-27)31-38-29-20-19-28(21-30(29)39-31)37-33(41)24-9-15-26(16-10-24)35(4,5)6;38-32(27-18-25(27)20-7-3-1-4-8-20)34-23-13-11-22(12-14-23)31-36-29-16-15-24(17-30(29)37-31)35-33(39)28-19-26(28)21-9-5-2-6-10-21;38-30(32(17-18-32)23-7-3-1-4-8-23)34-25-13-11-22(12-14-25)29-36-27-16-15-26(21-28(27)37-29)35-31(39)33(19-20-33)24-9-5-2-6-10-24;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;28-22-15-21(30-27(34)19-9-5-2-6-10-19)16-23-24(22)32-25(31-23)17-11-13-20(14-12-17)29-26(33)18-7-3-1-4-8-18;28-26(29,30)24(42)38-11-1-3-19(38)22(40)34-15-7-5-14(6-8-15)21-36-17-10-9-16(13-18(17)37-21)35-23(41)20-4-2-12-39(20)25(43)27(31,32)33;1-24(2)12-17(24)22(30)26-15-7-5-14(6-8-15)21-28-19-10-9-16(11-20(19)29-21)27-23(31)18-13-25(18,3)4;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/h1-2,5-8,13-22,27H,3-4,9-12,23-26H2,(H,40,44)(H,41,45)(H,42,43);11-12,17-21,23-26H,7-10,13-16H2,1-6H3,(H,36,40)(H,37,41)(H,38,39);1-17,25-28H,18-19H2,(H,34,38)(H,35,39)(H,36,37);1-16,21H,17-20H2,(H,34,38)(H,35,39)(H,36,37);5-10,15-17,19-20,23-24H,1-4,11-14H2,(H,30,34)(H,31,35)(H,32,33);11-16,18-19H,1-10H2,(H,29,33)(H,30,34)(H,31,32);5-10,13,19-20H,1-4,11-12H2,(H,34,40)(H,35,41)(H,36,37);5-11,17-18H,12-13H2,1-4H3,(H,26,30)(H,27,31)(H,28,29);5-10,13,18-19,24-25H,1-4,11-12H2,(H,26,30)(H,27,31)(H,28,29)/t;;25-,26+,27+,28-;;;;;;/m..1....../s1.
What are the key properties of N-[4-[6-(bicyclo[2.2.1]heptane-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;4-tert-butyl-N-[4-[6-[(4-tert-butylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;N-[4-[4-chloro-6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cyclohexanecarboxamide;N-[4-[6-[(2,2-dimethylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]-2,2-dimethylcyclopropane-1-carboxamide;1-phenyl-N-[4-[6-[(1-phenylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;1-phenyl-N-[4-[6-[(1-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclopropane-1-carboxamide;N-[4-[6-(pyrrolidine-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]pyrrolidine-2-carboxamide;trans-(1S,2S)-2-phenyl-N-[4-[6-[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]-1H-benzimidazol-2-yl]phenyl]cyclopropane-1-carboxamide;1-(2,2,2-trifluoroacetyl)-N-[4-[6-[[1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carbonyl]amino]-1H-benzimidazol-2-yl]phenyl]pyrrolidine-2-carboxamide?
N-[4-[6-(bicyclo[2.2.1]heptane-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;4-tert-butyl-N-[4-[6-[(4-tert-butylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;N-[4-[4-chloro-6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cyclohexanecarboxamide;N-[4-[6-[(2,2-dimethylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]-2,2-dimethylcyclopropane-1-carboxamide;1-phenyl-N-[4-[6-[(1-phenylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;1-phenyl-N-[4-[6-[(1-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclopropane-1-carboxamide;N-[4-[6-(pyrrolidine-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]pyrrolidine-2-carboxamide;trans-(1S,2S)-2-phenyl-N-[4-[6-[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]-1H-benzimidazol-2-yl]phenyl]cyclopropane-1-carboxamide;1-(2,2,2-trifluoroacetyl)-N-[4-[6-[[1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carbonyl]amino]-1H-benzimidazol-2-yl]phenyl]pyrrolidine-2-carboxamide has a molecular weight of 4571.96 g/mol, XLogP of 55.93, 51 rotatable bonds, 29 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(bicyclo[2.2.1]heptane-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;4-tert-butyl-N-[4-[6-[(4-tert-butylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;N-[4-[4-chloro-6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cyclohexanecarboxamide;N-[4-[6-[(2,2-dimethylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]-2,2-dimethylcyclopropane-1-carboxamide;1-phenyl-N-[4-[6-[(1-phenylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;1-phenyl-N-[4-[6-[(1-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclopropane-1-carboxamide;N-[4-[6-(pyrrolidine-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]pyrrolidine-2-carboxamide;trans-(1S,2S)-2-phenyl-N-[4-[6-[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]-1H-benzimidazol-2-yl]phenyl]cyclopropane-1-carboxamide;1-(2,2,2-trifluoroacetyl)-N-[4-[6-[[1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carbonyl]amino]-1H-benzimidazol-2-yl]phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 160614958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).