4-tert-butyl-N-[4-[6-[(4-tert-butylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;N-[4-[6-(cycloheptanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cycloheptanecarboxamide;N-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cyclohexanecarboxamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cyclopentanecarboxamide;N-[4-[6-(3,3-dimethylbutanoylamino)-1H-benzimidazol-2-yl]phenyl]-3,3-dimethylbutanamide;4-pentyl-N-[4-[6-[(4-pentylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;N-[4-[6-[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-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;trans-(1S,2S)-2-phenyl-N-[4-[6-[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]-1H-benzimidazol-2-yl]phenyl]cyclopropane-1-carboxamide

C314H354N40O20 — CID 157192576

IUPAC4-tert-butyl-N-[4-[6-[(4-tert-butylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;N-[4-[6-(cycloheptanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cycloheptanecarboxamide;N-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cyclohexanecarboxamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cyclopentanecarboxamide;N-[4-[6-(3,3-dimethylbutanoylamino)-1H-benzimidazol-2-yl]phenyl]-3,3-dimethylbutanamide;4-pentyl-N-[4-[6-[(4-pentylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;N-[4-[6-[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-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;trans-(1S,2S)-2-phenyl-N-[4-[6-[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]-1H-benzimidazol-2-yl]phenyl]cyclopropane-1-carboxamide
SMILESCC(C)(C)C1CCC(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)C5CCC(C(C)(C)C)CC5)cc4[nH]3)cc2)CC1.CC(C)(C)CC(=O)Nc1ccc(-c2nc3ccc(NC(=O)CC(C)(C)C)cc3[nH]2)cc1.CCCCCC1CCC(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)C5CCC(CCCCC)CC5)cc4[nH]3)cc2)CC1.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)C4CCCC4)cc3[nH]2)cc1)C1CCCC1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)C4CCCCC4)cc3[nH]2)cc1)C1CCCCC1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)C4CCCCCC4)cc3[nH]2)cc1)C1CCCCCC1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)[C@@H]4C[C@H]4c4ccccc4)cc3[nH]2)cc1)C1CC2CCC1C2.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.C37H52N4O2.C35H48N4O2.2C33H28N4O2.C31H30N4O2.C29H36N4O2.C27H32N4O2.C25H28N4O2.C25H32N4O2/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;1-3-5-7-9-26-11-15-29(16-12-26)36(42)38-31-21-19-28(20-22-31)35-40-33-24-23-32(25-34(33)41-35)39-37(43)30-17-13-27(14-18-30)10-8-6-4-2;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;36-30(25-15-18-6-7-21(25)14-18)32-22-10-8-20(9-11-22)29-34-27-13-12-23(16-28(27)35-29)33-31(37)26-17-24(26)19-4-2-1-3-5-19;34-28(21-9-5-1-2-6-10-21)30-23-15-13-20(14-16-23)27-32-25-18-17-24(19-26(25)33-27)31-29(35)22-11-7-3-4-8-12-22;32-26(19-7-3-1-4-8-19)28-21-13-11-18(12-14-21)25-30-23-16-15-22(17-24(23)31-25)29-27(33)20-9-5-2-6-10-20;30-24(17-5-1-2-6-17)26-19-11-9-16(10-12-19)23-28-21-14-13-20(15-22(21)29-23)27-25(31)18-7-3-4-8-18;1-24(2,3)14-21(30)26-17-9-7-16(8-10-17)23-28-19-12-11-18(13-20(19)29-23)27-22(31)15-25(4,5)6/h1-2,5-8,13-22,27H,3-4,9-12,23-26H2,(H,40,44)(H,41,45)(H,42,43);19-27,29-30H,3-18H2,1-2H3,(H,38,42)(H,39,43)(H,40,41);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);1-5,8-13,16,18,21,24-26H,6-7,14-15,17H2,(H,32,36)(H,33,37)(H,34,35);13-19,21-22H,1-12H2,(H,30,34)(H,31,35)(H,32,33);11-17,19-20H,1-10H2,(H,28,32)(H,29,33)(H,30,31);9-15,17-18H,1-8H2,(H,26,30)(H,27,31)(H,28,29);7-13H,14-15H2,1-6H3,(H,26,30)(H,27,31)(H,28,29)/t;;;25-,26+,27+,28-;;18?,21?,24-,25?,26+;;;;/m...1.0..../s1
InChIKeyAPWKEPUVJNGOMO-BUHJRDJASA-N
MW5008.55 g/mol
LogP72.02
Rot. Bonds65

About 4-tert-butyl-N-[4-[6-[(4-tert-butylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;N-[4-[6-(cycloheptanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cycloheptanecarboxamide;N-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cyclohexanecarboxamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cyclopentanecarboxamide;N-[4-[6-(3,3-dimethylbutanoylamino)-1H-benzimidazol-2-yl]phenyl]-3,3-dimethylbutanamide;4-pentyl-N-[4-[6-[(4-pentylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;N-[4-[6-[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-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;trans-(1S,2S)-2-phenyl-N-[4-[6-[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]-1H-benzimidazol-2-yl]phenyl]cyclopropane-1-carboxamide

4-tert-butyl-N-[4-[6-[(4-tert-butylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;N-[4-[6-(cycloheptanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cycloheptanecarboxamide;N-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cyclohexanecarboxamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cyclopentanecarboxamide;N-[4-[6-(3,3-dimethylbutanoylamino)-1H-benzimidazol-2-yl]phenyl]-3,3-dimethylbutanamide;4-pentyl-N-[4-[6-[(4-pentylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;N-[4-[6-[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-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;trans-(1S,2S)-2-phenyl-N-[4-[6-[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]-1H-benzimidazol-2-yl]phenyl]cyclopropane-1-carboxamide (PubChem CID 157192576) has the molecular formula C314H354N40O20 and a molecular weight of 5008.55 g/mol. Its IUPAC name is 4-tert-butyl-N-[4-[6-[(4-tert-butylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;N-[4-[6-(cycloheptanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cycloheptanecarboxamide;N-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cyclohexanecarboxamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cyclopentanecarboxamide;N-[4-[6-(3,3-dimethylbutanoylamino)-1H-benzimidazol-2-yl]phenyl]-3,3-dimethylbutanamide;4-pentyl-N-[4-[6-[(4-pentylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;N-[4-[6-[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-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;trans-(1S,2S)-2-phenyl-N-[4-[6-[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]-1H-benzimidazol-2-yl]phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-[4-[6-[(4-tert-butylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;N-[4-[6-(cycloheptanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cycloheptanecarboxamide;N-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cyclohexanecarboxamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cyclopentanecarboxamide;N-[4-[6-(3,3-dimethylbutanoylamino)-1H-benzimidazol-2-yl]phenyl]-3,3-dimethylbutanamide;4-pentyl-N-[4-[6-[(4-pentylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;N-[4-[6-[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-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;trans-(1S,2S)-2-phenyl-N-[4-[6-[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]-1H-benzimidazol-2-yl]phenyl]cyclopropane-1-carboxamide
PubChem CID157192576
Molecular FormulaC314H354N40O20
Molecular Weight5008.55 g/mol
Exact Mass5004.79
IUPAC Name4-tert-butyl-N-[4-[6-[(4-tert-butylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;N-[4-[6-(cycloheptanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cycloheptanecarboxamide;N-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cyclohexanecarboxamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cyclopentanecarboxamide;N-[4-[6-(3,3-dimethylbutanoylamino)-1H-benzimidazol-2-yl]phenyl]-3,3-dimethylbutanamide;4-pentyl-N-[4-[6-[(4-pentylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;N-[4-[6-[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-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;trans-(1S,2S)-2-phenyl-N-[4-[6-[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]-1H-benzimidazol-2-yl]phenyl]cyclopropane-1-carboxamide
SMILESCC(C)(C)C1CCC(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)C5CCC(C(C)(C)C)CC5)cc4[nH]3)cc2)CC1.CC(C)(C)CC(=O)Nc1ccc(-c2nc3ccc(NC(=O)CC(C)(C)C)cc3[nH]2)cc1.CCCCCC1CCC(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)C5CCC(CCCCC)CC5)cc4[nH]3)cc2)CC1.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)C4CCCC4)cc3[nH]2)cc1)C1CCCC1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)C4CCCCC4)cc3[nH]2)cc1)C1CCCCC1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)C4CCCCCC4)cc3[nH]2)cc1)C1CCCCCC1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)[C@@H]4C[C@H]4c4ccccc4)cc3[nH]2)cc1)C1CC2CCC1C2.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.C37H52N4O2.C35H48N4O2.2C33H28N4O2.C31H30N4O2.C29H36N4O2.C27H32N4O2.C25H28N4O2.C25H32N4O2/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;1-3-5-7-9-26-11-15-29(16-12-26)36(42)38-31-21-19-28(20-22-31)35-40-33-24-23-32(25-34(33)41-35)39-37(43)30-17-13-27(14-18-30)10-8-6-4-2;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;36-30(25-15-18-6-7-21(25)14-18)32-22-10-8-20(9-11-22)29-34-27-13-12-23(16-28(27)35-29)33-31(37)26-17-24(26)19-4-2-1-3-5-19;34-28(21-9-5-1-2-6-10-21)30-23-15-13-20(14-16-23)27-32-25-18-17-24(19-26(25)33-27)31-29(35)22-11-7-3-4-8-12-22;32-26(19-7-3-1-4-8-19)28-21-13-11-18(12-14-21)25-30-23-16-15-22(17-24(23)31-25)29-27(33)20-9-5-2-6-10-20;30-24(17-5-1-2-6-17)26-19-11-9-16(10-12-19)23-28-21-14-13-20(15-22(21)29-23)27-25(31)18-7-3-4-8-18;1-24(2,3)14-21(30)26-17-9-7-16(8-10-17)23-28-19-12-11-18(13-20(19)29-23)27-22(31)15-25(4,5)6/h1-2,5-8,13-22,27H,3-4,9-12,23-26H2,(H,40,44)(H,41,45)(H,42,43);19-27,29-30H,3-18H2,1-2H3,(H,38,42)(H,39,43)(H,40,41);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);1-5,8-13,16,18,21,24-26H,6-7,14-15,17H2,(H,32,36)(H,33,37)(H,34,35);13-19,21-22H,1-12H2,(H,30,34)(H,31,35)(H,32,33);11-17,19-20H,1-10H2,(H,28,32)(H,29,33)(H,30,31);9-15,17-18H,1-8H2,(H,26,30)(H,27,31)(H,28,29);7-13H,14-15H2,1-6H3,(H,26,30)(H,27,31)(H,28,29)/t;;;25-,26+,27+,28-;;18?,21?,24-,25?,26+;;;;/m...1.0..../s1
InChIKeyAPWKEPUVJNGOMO-BUHJRDJASA-N
XLogP72.02
TPSA868.80 Ų
H-Bond Donors30
H-Bond Acceptors30
Rotatable Bonds65
Heavy Atoms374
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005008.55
LogP ≤ 572.02
H-Bond Donors ≤ 530
H-Bond Acceptors ≤ 1030

Analyze 4-tert-butyl-N-[4-[6-[(4-tert-butylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;N-[4-[6-(cycloheptanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cycloheptanecarboxamide;N-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cyclohexanecarboxamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cyclopentanecarboxamide;N-[4-[6-(3,3-dimethylbutanoylamino)-1H-benzimidazol-2-yl]phenyl]-3,3-dimethylbutanamide;4-pentyl-N-[4-[6-[(4-pentylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;N-[4-[6-[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-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;trans-(1S,2S)-2-phenyl-N-[4-[6-[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]-1H-benzimidazol-2-yl]phenyl]cyclopropane-1-carboxamide with MolForge

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What is the IUPAC name of 4-tert-butyl-N-[4-[6-[(4-tert-butylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;N-[4-[6-(cycloheptanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cycloheptanecarboxamide;N-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cyclohexanecarboxamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cyclopentanecarboxamide;N-[4-[6-(3,3-dimethylbutanoylamino)-1H-benzimidazol-2-yl]phenyl]-3,3-dimethylbutanamide;4-pentyl-N-[4-[6-[(4-pentylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;N-[4-[6-[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-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;trans-(1S,2S)-2-phenyl-N-[4-[6-[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]-1H-benzimidazol-2-yl]phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 4-tert-butyl-N-[4-[6-[(4-tert-butylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;N-[4-[6-(cycloheptanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cycloheptanecarboxamide;N-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cyclohexanecarboxamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cyclopentanecarboxamide;N-[4-[6-(3,3-dimethylbutanoylamino)-1H-benzimidazol-2-yl]phenyl]-3,3-dimethylbutanamide;4-pentyl-N-[4-[6-[(4-pentylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;N-[4-[6-[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-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;trans-(1S,2S)-2-phenyl-N-[4-[6-[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]-1H-benzimidazol-2-yl]phenyl]cyclopropane-1-carboxamide (CID 157192576) is 4-tert-butyl-N-[4-[6-[(4-tert-butylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;N-[4-[6-(cycloheptanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cycloheptanecarboxamide;N-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cyclohexanecarboxamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cyclopentanecarboxamide;N-[4-[6-(3,3-dimethylbutanoylamino)-1H-benzimidazol-2-yl]phenyl]-3,3-dimethylbutanamide;4-pentyl-N-[4-[6-[(4-pentylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;N-[4-[6-[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-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;trans-(1S,2S)-2-phenyl-N-[4-[6-[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]-1H-benzimidazol-2-yl]phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-[4-[6-[(4-tert-butylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;N-[4-[6-(cycloheptanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cycloheptanecarboxamide;N-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cyclohexanecarboxamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cyclopentanecarboxamide;N-[4-[6-(3,3-dimethylbutanoylamino)-1H-benzimidazol-2-yl]phenyl]-3,3-dimethylbutanamide;4-pentyl-N-[4-[6-[(4-pentylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;N-[4-[6-[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-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;trans-(1S,2S)-2-phenyl-N-[4-[6-[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]-1H-benzimidazol-2-yl]phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 4-tert-butyl-N-[4-[6-[(4-tert-butylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;N-[4-[6-(cycloheptanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cycloheptanecarboxamide;N-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cyclohexanecarboxamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cyclopentanecarboxamide;N-[4-[6-(3,3-dimethylbutanoylamino)-1H-benzimidazol-2-yl]phenyl]-3,3-dimethylbutanamide;4-pentyl-N-[4-[6-[(4-pentylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;N-[4-[6-[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-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;trans-(1S,2S)-2-phenyl-N-[4-[6-[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]-1H-benzimidazol-2-yl]phenyl]cyclopropane-1-carboxamide is CC(C)(C)C1CCC(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)C5CCC(C(C)(C)C)CC5)cc4[nH]3)cc2)CC1.CC(C)(C)CC(=O)Nc1ccc(-c2nc3ccc(NC(=O)CC(C)(C)C)cc3[nH]2)cc1.CCCCCC1CCC(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)C5CCC(CCCCC)CC5)cc4[nH]3)cc2)CC1.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)C4CCCC4)cc3[nH]2)cc1)C1CCCC1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)C4CCCCC4)cc3[nH]2)cc1)C1CCCCC1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)C4CCCCCC4)cc3[nH]2)cc1)C1CCCCCC1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)[C@@H]4C[C@H]4c4ccccc4)cc3[nH]2)cc1)C1CC2CCC1C2.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 4-tert-butyl-N-[4-[6-[(4-tert-butylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;N-[4-[6-(cycloheptanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cycloheptanecarboxamide;N-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cyclohexanecarboxamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cyclopentanecarboxamide;N-[4-[6-(3,3-dimethylbutanoylamino)-1H-benzimidazol-2-yl]phenyl]-3,3-dimethylbutanamide;4-pentyl-N-[4-[6-[(4-pentylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;N-[4-[6-[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-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;trans-(1S,2S)-2-phenyl-N-[4-[6-[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]-1H-benzimidazol-2-yl]phenyl]cyclopropane-1-carboxamide?
The InChIKey is APWKEPUVJNGOMO-BUHJRDJASA-N. The full InChI is InChI=1S/C39H40N4O2.C37H52N4O2.C35H48N4O2.2C33H28N4O2.C31H30N4O2.C29H36N4O2.C27H32N4O2.C25H28N4O2.C25H32N4O2/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;1-3-5-7-9-26-11-15-29(16-12-26)36(42)38-31-21-19-28(20-22-31)35-40-33-24-23-32(25-34(33)41-35)39-37(43)30-17-13-27(14-18-30)10-8-6-4-2;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;36-30(25-15-18-6-7-21(25)14-18)32-22-10-8-20(9-11-22)29-34-27-13-12-23(16-28(27)35-29)33-31(37)26-17-24(26)19-4-2-1-3-5-19;34-28(21-9-5-1-2-6-10-21)30-23-15-13-20(14-16-23)27-32-25-18-17-24(19-26(25)33-27)31-29(35)22-11-7-3-4-8-12-22;32-26(19-7-3-1-4-8-19)28-21-13-11-18(12-14-21)25-30-23-16-15-22(17-24(23)31-25)29-27(33)20-9-5-2-6-10-20;30-24(17-5-1-2-6-17)26-19-11-9-16(10-12-19)23-28-21-14-13-20(15-22(21)29-23)27-25(31)18-7-3-4-8-18;1-24(2,3)14-21(30)26-17-9-7-16(8-10-17)23-28-19-12-11-18(13-20(19)29-23)27-22(31)15-25(4,5)6/h1-2,5-8,13-22,27H,3-4,9-12,23-26H2,(H,40,44)(H,41,45)(H,42,43);19-27,29-30H,3-18H2,1-2H3,(H,38,42)(H,39,43)(H,40,41);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);1-5,8-13,16,18,21,24-26H,6-7,14-15,17H2,(H,32,36)(H,33,37)(H,34,35);13-19,21-22H,1-12H2,(H,30,34)(H,31,35)(H,32,33);11-17,19-20H,1-10H2,(H,28,32)(H,29,33)(H,30,31);9-15,17-18H,1-8H2,(H,26,30)(H,27,31)(H,28,29);7-13H,14-15H2,1-6H3,(H,26,30)(H,27,31)(H,28,29)/t;;;25-,26+,27+,28-;;18?,21?,24-,25?,26+;;;;/m...1.0..../s1.
What are the key properties of 4-tert-butyl-N-[4-[6-[(4-tert-butylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;N-[4-[6-(cycloheptanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cycloheptanecarboxamide;N-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cyclohexanecarboxamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cyclopentanecarboxamide;N-[4-[6-(3,3-dimethylbutanoylamino)-1H-benzimidazol-2-yl]phenyl]-3,3-dimethylbutanamide;4-pentyl-N-[4-[6-[(4-pentylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;N-[4-[6-[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-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;trans-(1S,2S)-2-phenyl-N-[4-[6-[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]-1H-benzimidazol-2-yl]phenyl]cyclopropane-1-carboxamide?
4-tert-butyl-N-[4-[6-[(4-tert-butylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;N-[4-[6-(cycloheptanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cycloheptanecarboxamide;N-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cyclohexanecarboxamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cyclopentanecarboxamide;N-[4-[6-(3,3-dimethylbutanoylamino)-1H-benzimidazol-2-yl]phenyl]-3,3-dimethylbutanamide;4-pentyl-N-[4-[6-[(4-pentylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;N-[4-[6-[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-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;trans-(1S,2S)-2-phenyl-N-[4-[6-[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]-1H-benzimidazol-2-yl]phenyl]cyclopropane-1-carboxamide has a molecular weight of 5008.55 g/mol, XLogP of 72.02, 65 rotatable bonds, 30 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[4-[6-[(4-tert-butylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;N-[4-[6-(cycloheptanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cycloheptanecarboxamide;N-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cyclohexanecarboxamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cyclopentanecarboxamide;N-[4-[6-(3,3-dimethylbutanoylamino)-1H-benzimidazol-2-yl]phenyl]-3,3-dimethylbutanamide;4-pentyl-N-[4-[6-[(4-pentylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;N-[4-[6-[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-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;trans-(1S,2S)-2-phenyl-N-[4-[6-[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]-1H-benzimidazol-2-yl]phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 157192576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).