1-acetyl-N-[2-[4-[[1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl]amino]phenyl]-3H-benzimidazol-5-yl]piperidine-4-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-(piperidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]piperidine-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;2-thiophen-2-yl-N-[4-[6-[(2-thiophen-2-ylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide;2-thiophen-3-yl-N-[4-[6-[(2-thiophen-3-ylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide

C183H195F3N38O20S6 — CID 159931315

IUPAC1-acetyl-N-[2-[4-[[1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl]amino]phenyl]-3H-benzimidazol-5-yl]piperidine-4-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-(piperidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]piperidine-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;2-thiophen-2-yl-N-[4-[6-[(2-thiophen-2-ylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide;2-thiophen-3-yl-N-[4-[6-[(2-thiophen-3-ylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide
SMILESCC(=O)N1CCC(C(=O)Nc2ccc3nc(-c4ccc(NC(=O)C5CCN(C(=O)C(F)(F)F)CC5)cc4)[nH]c3c2)CC1.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(Cc1cccs1)Nc1ccc(-c2nc3ccc(NC(=O)Cc4cccs4)cc3[nH]2)cc1.O=C(Cc1ccsc1)Nc1ccc(-c2nc3ccc(NC(=O)Cc4ccsc4)cc3[nH]2)cc1.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
InChIInChI=1S/C35H46N6O6.C29H31F3N6O4.C25H30N6O2.2C25H20N4O2S2.C23H26N6O2.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;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;30-23(14-19-3-1-11-32-19)26-17-7-5-16(6-8-17)25-28-21-10-9-18(13-22(21)29-25)27-24(31)15-20-4-2-12-33-20;30-23(11-16-7-9-32-14-16)26-19-3-1-18(2-4-19)25-28-21-6-5-20(13-22(21)29-25)27-24(31)12-17-8-10-33-15-17;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;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);1-6,15,17-18,26-27H,7-14H2,(H,28,32)(H,29,33)(H,30,31);1-13H,14-15H2,(H,26,30)(H,27,31)(H,28,29);1-10,13-15H,11-12H2,(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);1-7,17-18,22-23H,8-11H2,(H,24,28)(H,25,29)(H,26,27)
InChIKeyNZRDOTBLYWHUTI-UHFFFAOYSA-N
MW3496.21 g/mol
LogP30.15
Rot. Bonds39

About 1-acetyl-N-[2-[4-[[1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl]amino]phenyl]-3H-benzimidazol-5-yl]piperidine-4-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-(piperidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]piperidine-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;2-thiophen-2-yl-N-[4-[6-[(2-thiophen-2-ylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide;2-thiophen-3-yl-N-[4-[6-[(2-thiophen-3-ylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide

1-acetyl-N-[2-[4-[[1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl]amino]phenyl]-3H-benzimidazol-5-yl]piperidine-4-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-(piperidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]piperidine-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;2-thiophen-2-yl-N-[4-[6-[(2-thiophen-2-ylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide;2-thiophen-3-yl-N-[4-[6-[(2-thiophen-3-ylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide (PubChem CID 159931315) has the molecular formula C183H195F3N38O20S6 and a molecular weight of 3496.21 g/mol. Its IUPAC name is 1-acetyl-N-[2-[4-[[1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl]amino]phenyl]-3H-benzimidazol-5-yl]piperidine-4-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-(piperidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]piperidine-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;2-thiophen-2-yl-N-[4-[6-[(2-thiophen-2-ylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide;2-thiophen-3-yl-N-[4-[6-[(2-thiophen-3-ylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide.

Molecular Properties

Compound Name1-acetyl-N-[2-[4-[[1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl]amino]phenyl]-3H-benzimidazol-5-yl]piperidine-4-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-(piperidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]piperidine-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;2-thiophen-2-yl-N-[4-[6-[(2-thiophen-2-ylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide;2-thiophen-3-yl-N-[4-[6-[(2-thiophen-3-ylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide
PubChem CID159931315
Molecular FormulaC183H195F3N38O20S6
Molecular Weight3496.21 g/mol
Exact Mass3493.37
IUPAC Name1-acetyl-N-[2-[4-[[1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl]amino]phenyl]-3H-benzimidazol-5-yl]piperidine-4-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-(piperidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]piperidine-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;2-thiophen-2-yl-N-[4-[6-[(2-thiophen-2-ylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide;2-thiophen-3-yl-N-[4-[6-[(2-thiophen-3-ylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide
SMILESCC(=O)N1CCC(C(=O)Nc2ccc3nc(-c4ccc(NC(=O)C5CCN(C(=O)C(F)(F)F)CC5)cc4)[nH]c3c2)CC1.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(Cc1cccs1)Nc1ccc(-c2nc3ccc(NC(=O)Cc4cccs4)cc3[nH]2)cc1.O=C(Cc1ccsc1)Nc1ccc(-c2nc3ccc(NC(=O)Cc4ccsc4)cc3[nH]2)cc1.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
InChIInChI=1S/C35H46N6O6.C29H31F3N6O4.C25H30N6O2.2C25H20N4O2S2.C23H26N6O2.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;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;30-23(14-19-3-1-11-32-19)26-17-7-5-16(6-8-17)25-28-21-10-9-18(13-22(21)29-25)27-24(31)15-20-4-2-12-33-20;30-23(11-16-7-9-32-14-16)26-19-3-1-18(2-4-19)25-28-21-6-5-20(13-22(21)29-25)27-24(31)12-17-8-10-33-15-17;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;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);1-6,15,17-18,26-27H,7-14H2,(H,28,32)(H,29,33)(H,30,31);1-13H,14-15H2,(H,26,30)(H,27,31)(H,28,29);1-10,13-15H,11-12H2,(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);1-7,17-18,22-23H,8-11H2,(H,24,28)(H,25,29)(H,26,27)
InChIKeyNZRDOTBLYWHUTI-UHFFFAOYSA-N
XLogP30.15
TPSA780.04 Ų
H-Bond Donors27
H-Bond Acceptors39
Rotatable Bonds39
Heavy Atoms250
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003496.21
LogP ≤ 530.15
H-Bond Donors ≤ 527
H-Bond Acceptors ≤ 1039

Analyze 1-acetyl-N-[2-[4-[[1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl]amino]phenyl]-3H-benzimidazol-5-yl]piperidine-4-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-(piperidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]piperidine-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;2-thiophen-2-yl-N-[4-[6-[(2-thiophen-2-ylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide;2-thiophen-3-yl-N-[4-[6-[(2-thiophen-3-ylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[2-[4-[[1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl]amino]phenyl]-3H-benzimidazol-5-yl]piperidine-4-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-(piperidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]piperidine-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;2-thiophen-2-yl-N-[4-[6-[(2-thiophen-2-ylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide;2-thiophen-3-yl-N-[4-[6-[(2-thiophen-3-ylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide?
The IUPAC name of 1-acetyl-N-[2-[4-[[1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl]amino]phenyl]-3H-benzimidazol-5-yl]piperidine-4-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-(piperidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]piperidine-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;2-thiophen-2-yl-N-[4-[6-[(2-thiophen-2-ylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide;2-thiophen-3-yl-N-[4-[6-[(2-thiophen-3-ylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide (CID 159931315) is 1-acetyl-N-[2-[4-[[1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl]amino]phenyl]-3H-benzimidazol-5-yl]piperidine-4-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-(piperidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]piperidine-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;2-thiophen-2-yl-N-[4-[6-[(2-thiophen-2-ylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide;2-thiophen-3-yl-N-[4-[6-[(2-thiophen-3-ylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide.
What is the SMILES notation for 1-acetyl-N-[2-[4-[[1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl]amino]phenyl]-3H-benzimidazol-5-yl]piperidine-4-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-(piperidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]piperidine-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;2-thiophen-2-yl-N-[4-[6-[(2-thiophen-2-ylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide;2-thiophen-3-yl-N-[4-[6-[(2-thiophen-3-ylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide?
The canonical SMILES for 1-acetyl-N-[2-[4-[[1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl]amino]phenyl]-3H-benzimidazol-5-yl]piperidine-4-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-(piperidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]piperidine-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;2-thiophen-2-yl-N-[4-[6-[(2-thiophen-2-ylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide;2-thiophen-3-yl-N-[4-[6-[(2-thiophen-3-ylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide is CC(=O)N1CCC(C(=O)Nc2ccc3nc(-c4ccc(NC(=O)C5CCN(C(=O)C(F)(F)F)CC5)cc4)[nH]c3c2)CC1.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(Cc1cccs1)Nc1ccc(-c2nc3ccc(NC(=O)Cc4cccs4)cc3[nH]2)cc1.O=C(Cc1ccsc1)Nc1ccc(-c2nc3ccc(NC(=O)Cc4ccsc4)cc3[nH]2)cc1.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.
What is the InChIKey of 1-acetyl-N-[2-[4-[[1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl]amino]phenyl]-3H-benzimidazol-5-yl]piperidine-4-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-(piperidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]piperidine-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;2-thiophen-2-yl-N-[4-[6-[(2-thiophen-2-ylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide;2-thiophen-3-yl-N-[4-[6-[(2-thiophen-3-ylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide?
The InChIKey is NZRDOTBLYWHUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H46N6O6.C29H31F3N6O4.C25H30N6O2.2C25H20N4O2S2.C23H26N6O2.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;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;30-23(14-19-3-1-11-32-19)26-17-7-5-16(6-8-17)25-28-21-10-9-18(13-22(21)29-25)27-24(31)15-20-4-2-12-33-20;30-23(11-16-7-9-32-14-16)26-19-3-1-18(2-4-19)25-28-21-6-5-20(13-22(21)29-25)27-24(31)12-17-8-10-33-15-17;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;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);1-6,15,17-18,26-27H,7-14H2,(H,28,32)(H,29,33)(H,30,31);1-13H,14-15H2,(H,26,30)(H,27,31)(H,28,29);1-10,13-15H,11-12H2,(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);1-7,17-18,22-23H,8-11H2,(H,24,28)(H,25,29)(H,26,27).
What are the key properties of 1-acetyl-N-[2-[4-[[1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl]amino]phenyl]-3H-benzimidazol-5-yl]piperidine-4-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-(piperidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]piperidine-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;2-thiophen-2-yl-N-[4-[6-[(2-thiophen-2-ylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide;2-thiophen-3-yl-N-[4-[6-[(2-thiophen-3-ylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide?
1-acetyl-N-[2-[4-[[1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl]amino]phenyl]-3H-benzimidazol-5-yl]piperidine-4-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-(piperidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]piperidine-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;2-thiophen-2-yl-N-[4-[6-[(2-thiophen-2-ylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide;2-thiophen-3-yl-N-[4-[6-[(2-thiophen-3-ylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide has a molecular weight of 3496.21 g/mol, XLogP of 30.15, 39 rotatable bonds, 27 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[2-[4-[[1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl]amino]phenyl]-3H-benzimidazol-5-yl]piperidine-4-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-(piperidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]piperidine-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;2-thiophen-2-yl-N-[4-[6-[(2-thiophen-2-ylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide;2-thiophen-3-yl-N-[4-[6-[(2-thiophen-3-ylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide is sourced from PubChem (CID 159931315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).