methane;propan-2-yl 4-[[2-butyl-5-[(E)-3-oxo-3-propan-2-yloxy-2-(thiophen-2-ylmethyl)prop-1-enyl]imidazol-1-yl]methyl]benzoate;propan-2-yl 2-butyl-3-[[4-[2-(2H-triazol-4-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate;propan-2-yl 2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoate;propan-2-yl 5-(1,1,2,2,2-pentafluoroethyl)-2-propyl-3-[[4-[2-(2H-triazol-4-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate

C123H133F5N16O10S — CID 160803243

About methane;propan-2-yl 4-[[2-butyl-5-[(E)-3-oxo-3-propan-2-yloxy-2-(thiophen-2-ylmethyl)prop-1-enyl]imidazol-1-yl]methyl]benzoate;propan-2-yl 2-butyl-3-[[4-[2-(2H-triazol-4-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate;propan-2-yl 2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoate;propan-2-yl 5-(1,1,2,2,2-pentafluoroethyl)-2-propyl-3-[[4-[2-(2H-triazol-4-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate

methane;propan-2-yl 4-[[2-butyl-5-[(E)-3-oxo-3-propan-2-yloxy-2-(thiophen-2-ylmethyl)prop-1-enyl]imidazol-1-yl]methyl]benzoate;propan-2-yl 2-butyl-3-[[4-[2-(2H-triazol-4-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate;propan-2-yl 2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoate;propan-2-yl 5-(1,1,2,2,2-pentafluoroethyl)-2-propyl-3-[[4-[2-(2H-triazol-4-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate (PubChem CID 160803243) has the molecular formula C123H133F5N16O10S and a molecular weight of 2122.58 g/mol. Its IUPAC name is methane;propan-2-yl 4-[[2-butyl-5-[(E)-3-oxo-3-propan-2-yloxy-2-(thiophen-2-ylmethyl)prop-1-enyl]imidazol-1-yl]methyl]benzoate;propan-2-yl 2-butyl-3-[[4-[2-(2H-triazol-4-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate;propan-2-yl 2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoate;propan-2-yl 5-(1,1,2,2,2-pentafluoroethyl)-2-propyl-3-[[4-[2-(2H-triazol-4-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate.

Molecular Properties

• Compound Name: methane;propan-2-yl 4-[[2-butyl-5-[(E)-3-oxo-3-propan-2-yloxy-2-(thiophen-2-ylmethyl)prop-1-enyl]imidazol-1-yl]methyl]benzoate;propan-2-yl 2-butyl-3-[[4-[2-(2H-triazol-4-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate;propan-2-yl 2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoate;propan-2-yl 5-(1,1,2,2,2-pentafluoroethyl)-2-propyl-3-[[4-[2-(2H-triazol-4-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate
• PubChem CID: 160803243
• Molecular Formula: C123H133F5N16O10S
• Molecular Weight: 2122.58 g/mol
• Exact Mass: 2121.00
• IUPAC Name: methane;propan-2-yl 4-[[2-butyl-5-[(E)-3-oxo-3-propan-2-yloxy-2-(thiophen-2-ylmethyl)prop-1-enyl]imidazol-1-yl]methyl]benzoate;propan-2-yl 2-butyl-3-[[4-[2-(2H-triazol-4-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate;propan-2-yl 2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoate;propan-2-yl 5-(1,1,2,2,2-pentafluoroethyl)-2-propyl-3-[[4-[2-(2H-triazol-4-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate
• SMILES: C.CCCCc1nc2cccc(C(=O)OC(C)C)c2n1Cc1ccc(-c2ccccc2-c2cn[nH]n2)cc1.CCCCc1ncc(/C=C(\Cc2cccs2)C(=O)OC(C)C)n1Cc1ccc(C(=O)OC(C)C)cc1.CCCc1nc(C(F)(F)C(F)(F)F)c(C(=O)OC(C)C)n1Cc1ccc(-c2ccccc2-c2cn[nH]n2)cc1.CCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2C(=O)OC(C)C)cc1
• InChI: InChI=1S/C36H36N4O2.C30H31N5O2.C29H36N2O4S.C27H26F5N5O2.CH4/c1-6-11-33-38-34-24(4)20-27(35-37-30-14-9-10-15-31(30)39(35)5)21-32(34)40(33)22-25-16-18-26(19-17-25)28-12-7-8-13-29(28)36(41)42-23(2)3;1-4-5-13-28-32-26-12-8-11-25(30(36)37-20(2)3)29(26)35(28)19-21-14-16-22(17-15-21)23-9-6-7-10-24(23)27-18-31-34-33-27;1-6-7-10-27-30-18-25(16-24(29(33)35-21(4)5)17-26-9-8-15-36-26)31(27)19-22-11-13-23(14-12-22)28(32)34-20(2)3;1-4-7-22-34-24(26(28,29)27(30,31)32)23(25(38)39-16(2)3)37(22)15-17-10-12-18(13-11-17)19-8-5-6-9-20(19)21-14-33-36-35-21;/h7-10,12-21,23H,6,11,22H2,1-5H3;6-12,14-18,20H,4-5,13,19H2,1-3H3,(H,31,33,34);8-9,11-16,18,20-21H,6-7,10,17,19H2,1-5H3;5-6,8-14,16H,4,7,15H2,1-3H3,(H,33,35,36);1H4/b;;24-16+
• InChIKey: SDIYSCSASSOQGP-WXEHOBJRSA-N
• XLogP: 28.25
• TPSA: 303.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 25
• Rotatable Bonds: 38
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2122.58
LogP ≤ 5	28.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methane;propan-2-yl 4-[[2-butyl-5-[(E)-3-oxo-3-propan-2-yloxy-2-(thiophen-2-ylmethyl)prop-1-enyl]imidazol-1-yl]methyl]benzoate;propan-2-yl 2-butyl-3-[[4-[2-(2H-triazol-4-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate;propan-2-yl 2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoate;propan-2-yl 5-(1,1,2,2,2-pentafluoroethyl)-2-propyl-3-[[4-[2-(2H-triazol-4-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate?

The IUPAC name of methane;propan-2-yl 4-[[2-butyl-5-[(E)-3-oxo-3-propan-2-yloxy-2-(thiophen-2-ylmethyl)prop-1-enyl]imidazol-1-yl]methyl]benzoate;propan-2-yl 2-butyl-3-[[4-[2-(2H-triazol-4-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate;propan-2-yl 2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoate;propan-2-yl 5-(1,1,2,2,2-pentafluoroethyl)-2-propyl-3-[[4-[2-(2H-triazol-4-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate (CID 160803243) is methane;propan-2-yl 4-[[2-butyl-5-[(E)-3-oxo-3-propan-2-yloxy-2-(thiophen-2-ylmethyl)prop-1-enyl]imidazol-1-yl]methyl]benzoate;propan-2-yl 2-butyl-3-[[4-[2-(2H-triazol-4-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate;propan-2-yl 2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoate;propan-2-yl 5-(1,1,2,2,2-pentafluoroethyl)-2-propyl-3-[[4-[2-(2H-triazol-4-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate.

What is the SMILES notation for methane;propan-2-yl 4-[[2-butyl-5-[(E)-3-oxo-3-propan-2-yloxy-2-(thiophen-2-ylmethyl)prop-1-enyl]imidazol-1-yl]methyl]benzoate;propan-2-yl 2-butyl-3-[[4-[2-(2H-triazol-4-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate;propan-2-yl 2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoate;propan-2-yl 5-(1,1,2,2,2-pentafluoroethyl)-2-propyl-3-[[4-[2-(2H-triazol-4-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate?

The canonical SMILES for methane;propan-2-yl 4-[[2-butyl-5-[(E)-3-oxo-3-propan-2-yloxy-2-(thiophen-2-ylmethyl)prop-1-enyl]imidazol-1-yl]methyl]benzoate;propan-2-yl 2-butyl-3-[[4-[2-(2H-triazol-4-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate;propan-2-yl 2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoate;propan-2-yl 5-(1,1,2,2,2-pentafluoroethyl)-2-propyl-3-[[4-[2-(2H-triazol-4-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate is C.CCCCc1nc2cccc(C(=O)OC(C)C)c2n1Cc1ccc(-c2ccccc2-c2cn[nH]n2)cc1.CCCCc1ncc(/C=C(\Cc2cccs2)C(=O)OC(C)C)n1Cc1ccc(C(=O)OC(C)C)cc1.CCCc1nc(C(F)(F)C(F)(F)F)c(C(=O)OC(C)C)n1Cc1ccc(-c2ccccc2-c2cn[nH]n2)cc1.CCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2C(=O)OC(C)C)cc1.

What is the InChIKey of methane;propan-2-yl 4-[[2-butyl-5-[(E)-3-oxo-3-propan-2-yloxy-2-(thiophen-2-ylmethyl)prop-1-enyl]imidazol-1-yl]methyl]benzoate;propan-2-yl 2-butyl-3-[[4-[2-(2H-triazol-4-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate;propan-2-yl 2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoate;propan-2-yl 5-(1,1,2,2,2-pentafluoroethyl)-2-propyl-3-[[4-[2-(2H-triazol-4-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate?

The InChIKey is SDIYSCSASSOQGP-WXEHOBJRSA-N. The full InChI is InChI=1S/C36H36N4O2.C30H31N5O2.C29H36N2O4S.C27H26F5N5O2.CH4/c1-6-11-33-38-34-24(4)20-27(35-37-30-14-9-10-15-31(30)39(35)5)21-32(34)40(33)22-25-16-18-26(19-17-25)28-12-7-8-13-29(28)36(41)42-23(2)3;1-4-5-13-28-32-26-12-8-11-25(30(36)37-20(2)3)29(26)35(28)19-21-14-16-22(17-15-21)23-9-6-7-10-24(23)27-18-31-34-33-27;1-6-7-10-27-30-18-25(16-24(29(33)35-21(4)5)17-26-9-8-15-36-26)31(27)19-22-11-13-23(14-12-22)28(32)34-20(2)3;1-4-7-22-34-24(26(28,29)27(30,31)32)23(25(38)39-16(2)3)37(22)15-17-10-12-18(13-11-17)19-8-5-6-9-20(19)21-14-33-36-35-21;/h7-10,12-21,23H,6,11,22H2,1-5H3;6-12,14-18,20H,4-5,13,19H2,1-3H3,(H,31,33,34);8-9,11-16,18,20-21H,6-7,10,17,19H2,1-5H3;5-6,8-14,16H,4,7,15H2,1-3H3,(H,33,35,36);1H4/b;;24-16+;;.

What are the key properties of methane;propan-2-yl 4-[[2-butyl-5-[(E)-3-oxo-3-propan-2-yloxy-2-(thiophen-2-ylmethyl)prop-1-enyl]imidazol-1-yl]methyl]benzoate;propan-2-yl 2-butyl-3-[[4-[2-(2H-triazol-4-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate;propan-2-yl 2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoate;propan-2-yl 5-(1,1,2,2,2-pentafluoroethyl)-2-propyl-3-[[4-[2-(2H-triazol-4-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate?

methane;propan-2-yl 4-[[2-butyl-5-[(E)-3-oxo-3-propan-2-yloxy-2-(thiophen-2-ylmethyl)prop-1-enyl]imidazol-1-yl]methyl]benzoate;propan-2-yl 2-butyl-3-[[4-[2-(2H-triazol-4-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate;propan-2-yl 2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoate;propan-2-yl 5-(1,1,2,2,2-pentafluoroethyl)-2-propyl-3-[[4-[2-(2H-triazol-4-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate has a molecular weight of 2122.58 g/mol, XLogP of 28.25, 38 rotatable bonds, 2 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for methane;propan-2-yl 4-[[2-butyl-5-[(E)-3-oxo-3-propan-2-yloxy-2-(thiophen-2-ylmethyl)prop-1-enyl]imidazol-1-yl]methyl]benzoate;propan-2-yl 2-butyl-3-[[4-[2-(2H-triazol-4-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate;propan-2-yl 2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoate;propan-2-yl 5-(1,1,2,2,2-pentafluoroethyl)-2-propyl-3-[[4-[2-(2H-triazol-4-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate is sourced from PubChem (CID 160803243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).