9-[5-[[5-(4-methylpiperazine-1-carbonyl)-1H-imidazol-2-yl]sulfanyl]pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide;9-[5-[[5-(morpholine-4-carbonyl)-1H-imidazol-2-yl]sulfanyl]pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide;N-(2-morpholin-4-ylphenyl)-2-[5-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]pentylsulfanyl]-1H-imidazole-5-carboxamide;9-[3-[2-morpholin-4-yl-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzimidazol-1-yl]propyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide;9-[5-[[5-(piperidine-1-carbonyl)-1H-imidazol-2-yl]sulfanyl]pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide

C168H171F18N23O13S4 — CID 160705167

About 9-[5-[[5-(4-methylpiperazine-1-carbonyl)-1H-imidazol-2-yl]sulfanyl]pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide;9-[5-[[5-(morpholine-4-carbonyl)-1H-imidazol-2-yl]sulfanyl]pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide;N-(2-morpholin-4-ylphenyl)-2-[5-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]pentylsulfanyl]-1H-imidazole-5-carboxamide;9-[3-[2-morpholin-4-yl-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzimidazol-1-yl]propyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide;9-[5-[[5-(piperidine-1-carbonyl)-1H-imidazol-2-yl]sulfanyl]pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide

9-[5-[[5-(4-methylpiperazine-1-carbonyl)-1H-imidazol-2-yl]sulfanyl]pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide;9-[5-[[5-(morpholine-4-carbonyl)-1H-imidazol-2-yl]sulfanyl]pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide;N-(2-morpholin-4-ylphenyl)-2-[5-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]pentylsulfanyl]-1H-imidazole-5-carboxamide;9-[3-[2-morpholin-4-yl-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzimidazol-1-yl]propyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide;9-[5-[[5-(piperidine-1-carbonyl)-1H-imidazol-2-yl]sulfanyl]pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide (PubChem CID 160705167) has the molecular formula C168H171F18N23O13S4 and a molecular weight of 3190.60 g/mol. Its IUPAC name is 9-[5-[[5-(4-methylpiperazine-1-carbonyl)-1H-imidazol-2-yl]sulfanyl]pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide;9-[5-[[5-(morpholine-4-carbonyl)-1H-imidazol-2-yl]sulfanyl]pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide;N-(2-morpholin-4-ylphenyl)-2-[5-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]pentylsulfanyl]-1H-imidazole-5-carboxamide;9-[3-[2-morpholin-4-yl-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzimidazol-1-yl]propyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide;9-[5-[[5-(piperidine-1-carbonyl)-1H-imidazol-2-yl]sulfanyl]pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide.

Molecular Properties

• Compound Name: 9-[5-[[5-(4-methylpiperazine-1-carbonyl)-1H-imidazol-2-yl]sulfanyl]pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide;9-[5-[[5-(morpholine-4-carbonyl)-1H-imidazol-2-yl]sulfanyl]pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide;N-(2-morpholin-4-ylphenyl)-2-[5-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]pentylsulfanyl]-1H-imidazole-5-carboxamide;9-[3-[2-morpholin-4-yl-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzimidazol-1-yl]propyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide;9-[5-[[5-(piperidine-1-carbonyl)-1H-imidazol-2-yl]sulfanyl]pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide
• PubChem CID: 160705167
• Molecular Formula: C168H171F18N23O13S4
• Molecular Weight: 3190.60 g/mol
• Exact Mass: 3188.20
• IUPAC Name: 9-[5-[[5-(4-methylpiperazine-1-carbonyl)-1H-imidazol-2-yl]sulfanyl]pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide;9-[5-[[5-(morpholine-4-carbonyl)-1H-imidazol-2-yl]sulfanyl]pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide;N-(2-morpholin-4-ylphenyl)-2-[5-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]pentylsulfanyl]-1H-imidazole-5-carboxamide;9-[3-[2-morpholin-4-yl-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzimidazol-1-yl]propyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide;9-[5-[[5-(piperidine-1-carbonyl)-1H-imidazol-2-yl]sulfanyl]pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide
• SMILES: CN1CCN(C(=O)c2cnc(SCCCCCC3(C(=O)NCC(F)(F)F)c4ccccc4-c4ccccc43)[nH]2)CC1.O=C(Nc1ccc2c(c1)nc(N1CCOCC1)n2CCCC1(C(=O)NCC(F)(F)F)c2ccccc2-c2ccccc21)c1ccccc1-c1ccc(C(F)(F)F)cc1.O=C(Nc1ccccc1N1CCOCC1)c1cnc(SCCCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)[nH]1.O=C(c1cnc(SCCCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)[nH]1)N1CCCCC1.O=C(c1cnc(SCCCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)[nH]1)N1CCOCC1
• InChI: InChI=1S/C44H37F6N5O3.C35H36F3N5O3S.C30H34F3N5O2S.C30H33F3N4O2S.C29H31F3N4O3S/c45-43(46,47)27-51-40(57)42(35-12-5-3-9-32(35)33-10-4-6-13-36(33)42)20-7-21-55-38-19-18-30(26-37(38)53-41(55)54-22-24-58-25-23-54)52-39(56)34-11-2-1-8-31(34)28-14-16-29(17-15-28)44(48,49)50;36-35(37,38)23-40-32(45)34(26-12-4-2-10-24(26)25-11-3-5-13-27(25)34)16-8-1-9-21-47-33-39-22-29(42-33)31(44)41-28-14-6-7-15-30(28)43-17-19-46-20-18-43;1-37-14-16-38(17-15-37)26(39)25-19-34-28(36-25)41-18-8-2-7-13-29(27(40)35-20-30(31,32)33)23-11-5-3-9-21(23)22-10-4-6-12-24(22)29;31-30(32,33)20-35-27(39)29(23-13-5-3-11-21(23)22-12-4-6-14-24(22)29)15-7-1-10-18-40-28-34-19-25(36-28)26(38)37-16-8-2-9-17-37;30-29(31,32)19-34-26(38)28(22-10-4-2-8-20(22)21-9-3-5-11-23(21)28)12-6-1-7-17-40-27-33-18-24(35-27)25(37)36-13-15-39-16-14-36/h1-6,8-19,26H,7,20-25,27H2,(H,51,57)(H,52,56);2-7,10-15,22H,1,8-9,16-21,23H2,(H,39,42)(H,40,45)(H,41,44);3-6,9-12,19H,2,7-8,13-18,20H2,1H3,(H,34,36)(H,35,40);3-6,11-14,19H,1-2,7-10,15-18,20H2,(H,34,36)(H,35,39);2-5,8-11,18H,1,6-7,12-17,19H2,(H,33,35)(H,34,38)
• InChIKey: RRDAHADSDDZYSS-UHFFFAOYSA-N
• XLogP: 32.64
• TPSA: 434.58 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 26
• Rotatable Bonds: 52
• Heavy Atoms: 226
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3190.60
LogP ≤ 5	32.64
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-[5-[[5-(4-methylpiperazine-1-carbonyl)-1H-imidazol-2-yl]sulfanyl]pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide;9-[5-[[5-(morpholine-4-carbonyl)-1H-imidazol-2-yl]sulfanyl]pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide;N-(2-morpholin-4-ylphenyl)-2-[5-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]pentylsulfanyl]-1H-imidazole-5-carboxamide;9-[3-[2-morpholin-4-yl-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzimidazol-1-yl]propyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide;9-[5-[[5-(piperidine-1-carbonyl)-1H-imidazol-2-yl]sulfanyl]pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide?

The IUPAC name of 9-[5-[[5-(4-methylpiperazine-1-carbonyl)-1H-imidazol-2-yl]sulfanyl]pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide;9-[5-[[5-(morpholine-4-carbonyl)-1H-imidazol-2-yl]sulfanyl]pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide;N-(2-morpholin-4-ylphenyl)-2-[5-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]pentylsulfanyl]-1H-imidazole-5-carboxamide;9-[3-[2-morpholin-4-yl-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzimidazol-1-yl]propyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide;9-[5-[[5-(piperidine-1-carbonyl)-1H-imidazol-2-yl]sulfanyl]pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide (CID 160705167) is 9-[5-[[5-(4-methylpiperazine-1-carbonyl)-1H-imidazol-2-yl]sulfanyl]pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide;9-[5-[[5-(morpholine-4-carbonyl)-1H-imidazol-2-yl]sulfanyl]pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide;N-(2-morpholin-4-ylphenyl)-2-[5-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]pentylsulfanyl]-1H-imidazole-5-carboxamide;9-[3-[2-morpholin-4-yl-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzimidazol-1-yl]propyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide;9-[5-[[5-(piperidine-1-carbonyl)-1H-imidazol-2-yl]sulfanyl]pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide.

What is the SMILES notation for 9-[5-[[5-(4-methylpiperazine-1-carbonyl)-1H-imidazol-2-yl]sulfanyl]pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide;9-[5-[[5-(morpholine-4-carbonyl)-1H-imidazol-2-yl]sulfanyl]pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide;N-(2-morpholin-4-ylphenyl)-2-[5-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]pentylsulfanyl]-1H-imidazole-5-carboxamide;9-[3-[2-morpholin-4-yl-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzimidazol-1-yl]propyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide;9-[5-[[5-(piperidine-1-carbonyl)-1H-imidazol-2-yl]sulfanyl]pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide?

The canonical SMILES for 9-[5-[[5-(4-methylpiperazine-1-carbonyl)-1H-imidazol-2-yl]sulfanyl]pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide;9-[5-[[5-(morpholine-4-carbonyl)-1H-imidazol-2-yl]sulfanyl]pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide;N-(2-morpholin-4-ylphenyl)-2-[5-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]pentylsulfanyl]-1H-imidazole-5-carboxamide;9-[3-[2-morpholin-4-yl-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzimidazol-1-yl]propyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide;9-[5-[[5-(piperidine-1-carbonyl)-1H-imidazol-2-yl]sulfanyl]pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide is CN1CCN(C(=O)c2cnc(SCCCCCC3(C(=O)NCC(F)(F)F)c4ccccc4-c4ccccc43)[nH]2)CC1.O=C(Nc1ccc2c(c1)nc(N1CCOCC1)n2CCCC1(C(=O)NCC(F)(F)F)c2ccccc2-c2ccccc21)c1ccccc1-c1ccc(C(F)(F)F)cc1.O=C(Nc1ccccc1N1CCOCC1)c1cnc(SCCCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)[nH]1.O=C(c1cnc(SCCCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)[nH]1)N1CCCCC1.O=C(c1cnc(SCCCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)[nH]1)N1CCOCC1.

What is the InChIKey of 9-[5-[[5-(4-methylpiperazine-1-carbonyl)-1H-imidazol-2-yl]sulfanyl]pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide;9-[5-[[5-(morpholine-4-carbonyl)-1H-imidazol-2-yl]sulfanyl]pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide;N-(2-morpholin-4-ylphenyl)-2-[5-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]pentylsulfanyl]-1H-imidazole-5-carboxamide;9-[3-[2-morpholin-4-yl-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzimidazol-1-yl]propyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide;9-[5-[[5-(piperidine-1-carbonyl)-1H-imidazol-2-yl]sulfanyl]pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide?

The InChIKey is RRDAHADSDDZYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H37F6N5O3.C35H36F3N5O3S.C30H34F3N5O2S.C30H33F3N4O2S.C29H31F3N4O3S/c45-43(46,47)27-51-40(57)42(35-12-5-3-9-32(35)33-10-4-6-13-36(33)42)20-7-21-55-38-19-18-30(26-37(38)53-41(55)54-22-24-58-25-23-54)52-39(56)34-11-2-1-8-31(34)28-14-16-29(17-15-28)44(48,49)50;36-35(37,38)23-40-32(45)34(26-12-4-2-10-24(26)25-11-3-5-13-27(25)34)16-8-1-9-21-47-33-39-22-29(42-33)31(44)41-28-14-6-7-15-30(28)43-17-19-46-20-18-43;1-37-14-16-38(17-15-37)26(39)25-19-34-28(36-25)41-18-8-2-7-13-29(27(40)35-20-30(31,32)33)23-11-5-3-9-21(23)22-10-4-6-12-24(22)29;31-30(32,33)20-35-27(39)29(23-13-5-3-11-21(23)22-12-4-6-14-24(22)29)15-7-1-10-18-40-28-34-19-25(36-28)26(38)37-16-8-2-9-17-37;30-29(31,32)19-34-26(38)28(22-10-4-2-8-20(22)21-9-3-5-11-23(21)28)12-6-1-7-17-40-27-33-18-24(35-27)25(37)36-13-15-39-16-14-36/h1-6,8-19,26H,7,20-25,27H2,(H,51,57)(H,52,56);2-7,10-15,22H,1,8-9,16-21,23H2,(H,39,42)(H,40,45)(H,41,44);3-6,9-12,19H,2,7-8,13-18,20H2,1H3,(H,34,36)(H,35,40);3-6,11-14,19H,1-2,7-10,15-18,20H2,(H,34,36)(H,35,39);2-5,8-11,18H,1,6-7,12-17,19H2,(H,33,35)(H,34,38).

What are the key properties of 9-[5-[[5-(4-methylpiperazine-1-carbonyl)-1H-imidazol-2-yl]sulfanyl]pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide;9-[5-[[5-(morpholine-4-carbonyl)-1H-imidazol-2-yl]sulfanyl]pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide;N-(2-morpholin-4-ylphenyl)-2-[5-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]pentylsulfanyl]-1H-imidazole-5-carboxamide;9-[3-[2-morpholin-4-yl-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzimidazol-1-yl]propyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide;9-[5-[[5-(piperidine-1-carbonyl)-1H-imidazol-2-yl]sulfanyl]pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide?

9-[5-[[5-(4-methylpiperazine-1-carbonyl)-1H-imidazol-2-yl]sulfanyl]pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide;9-[5-[[5-(morpholine-4-carbonyl)-1H-imidazol-2-yl]sulfanyl]pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide;N-(2-morpholin-4-ylphenyl)-2-[5-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]pentylsulfanyl]-1H-imidazole-5-carboxamide;9-[3-[2-morpholin-4-yl-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzimidazol-1-yl]propyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide;9-[5-[[5-(piperidine-1-carbonyl)-1H-imidazol-2-yl]sulfanyl]pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide has a molecular weight of 3190.60 g/mol, XLogP of 32.64, 52 rotatable bonds, 11 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[5-[[5-(4-methylpiperazine-1-carbonyl)-1H-imidazol-2-yl]sulfanyl]pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide;9-[5-[[5-(morpholine-4-carbonyl)-1H-imidazol-2-yl]sulfanyl]pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide;N-(2-morpholin-4-ylphenyl)-2-[5-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]pentylsulfanyl]-1H-imidazole-5-carboxamide;9-[3-[2-morpholin-4-yl-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzimidazol-1-yl]propyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide;9-[5-[[5-(piperidine-1-carbonyl)-1H-imidazol-2-yl]sulfanyl]pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide is sourced from PubChem (CID 160705167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).