2-(2,3-dibutylbenzimidazol-4-yl)-1-(2-methylpropyl)benzimidazole-5-carboxylic acid;methyl 2-[3-butyl-2-(2-hydroxyphenyl)benzimidazol-4-yl]-1-(3,3-diphenylpropyl)benzimidazole-5-carboxylate;methyl 1-butyl-2-[3-(2-methylpropyl)-2-(trifluoromethyl)benzimidazol-4-yl]benzimidazole-5-carboxylate;methyl 1-(3,3-diphenylpropyl)-2-[2-(2-hydroxyphenyl)-3-(2-phenylethyl)benzimidazol-4-yl]benzimidazole-5-carboxylate;methyl 1-(3-methoxypropyl)-2-[3-(2-methylpropyl)-2-(trifluoromethyl)benzimidazol-4-yl]benzimidazole-5-carboxylate;methyl 1-[(4-methylphenyl)methyl]-2-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]benzimidazole-5-carboxylate

C188H184F9N23O16 — CID 162163200

About 2-(2,3-dibutylbenzimidazol-4-yl)-1-(2-methylpropyl)benzimidazole-5-carboxylic acid;methyl 2-[3-butyl-2-(2-hydroxyphenyl)benzimidazol-4-yl]-1-(3,3-diphenylpropyl)benzimidazole-5-carboxylate;methyl 1-butyl-2-[3-(2-methylpropyl)-2-(trifluoromethyl)benzimidazol-4-yl]benzimidazole-5-carboxylate;methyl 1-(3,3-diphenylpropyl)-2-[2-(2-hydroxyphenyl)-3-(2-phenylethyl)benzimidazol-4-yl]benzimidazole-5-carboxylate;methyl 1-(3-methoxypropyl)-2-[3-(2-methylpropyl)-2-(trifluoromethyl)benzimidazol-4-yl]benzimidazole-5-carboxylate;methyl 1-[(4-methylphenyl)methyl]-2-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]benzimidazole-5-carboxylate

2-(2,3-dibutylbenzimidazol-4-yl)-1-(2-methylpropyl)benzimidazole-5-carboxylic acid;methyl 2-[3-butyl-2-(2-hydroxyphenyl)benzimidazol-4-yl]-1-(3,3-diphenylpropyl)benzimidazole-5-carboxylate;methyl 1-butyl-2-[3-(2-methylpropyl)-2-(trifluoromethyl)benzimidazol-4-yl]benzimidazole-5-carboxylate;methyl 1-(3,3-diphenylpropyl)-2-[2-(2-hydroxyphenyl)-3-(2-phenylethyl)benzimidazol-4-yl]benzimidazole-5-carboxylate;methyl 1-(3-methoxypropyl)-2-[3-(2-methylpropyl)-2-(trifluoromethyl)benzimidazol-4-yl]benzimidazole-5-carboxylate;methyl 1-[(4-methylphenyl)methyl]-2-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]benzimidazole-5-carboxylate (PubChem CID 162163200) has the molecular formula C188H184F9N23O16 and a molecular weight of 3192.67 g/mol. Its IUPAC name is 2-(2,3-dibutylbenzimidazol-4-yl)-1-(2-methylpropyl)benzimidazole-5-carboxylic acid;methyl 2-[3-butyl-2-(2-hydroxyphenyl)benzimidazol-4-yl]-1-(3,3-diphenylpropyl)benzimidazole-5-carboxylate;methyl 1-butyl-2-[3-(2-methylpropyl)-2-(trifluoromethyl)benzimidazol-4-yl]benzimidazole-5-carboxylate;methyl 1-(3,3-diphenylpropyl)-2-[2-(2-hydroxyphenyl)-3-(2-phenylethyl)benzimidazol-4-yl]benzimidazole-5-carboxylate;methyl 1-(3-methoxypropyl)-2-[3-(2-methylpropyl)-2-(trifluoromethyl)benzimidazol-4-yl]benzimidazole-5-carboxylate;methyl 1-[(4-methylphenyl)methyl]-2-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]benzimidazole-5-carboxylate.

Molecular Properties

• Compound Name: 2-(2,3-dibutylbenzimidazol-4-yl)-1-(2-methylpropyl)benzimidazole-5-carboxylic acid;methyl 2-[3-butyl-2-(2-hydroxyphenyl)benzimidazol-4-yl]-1-(3,3-diphenylpropyl)benzimidazole-5-carboxylate;methyl 1-butyl-2-[3-(2-methylpropyl)-2-(trifluoromethyl)benzimidazol-4-yl]benzimidazole-5-carboxylate;methyl 1-(3,3-diphenylpropyl)-2-[2-(2-hydroxyphenyl)-3-(2-phenylethyl)benzimidazol-4-yl]benzimidazole-5-carboxylate;methyl 1-(3-methoxypropyl)-2-[3-(2-methylpropyl)-2-(trifluoromethyl)benzimidazol-4-yl]benzimidazole-5-carboxylate;methyl 1-[(4-methylphenyl)methyl]-2-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]benzimidazole-5-carboxylate
• PubChem CID: 162163200
• Molecular Formula: C188H184F9N23O16
• Molecular Weight: 3192.67 g/mol
• Exact Mass: 3190.41
• IUPAC Name: 2-(2,3-dibutylbenzimidazol-4-yl)-1-(2-methylpropyl)benzimidazole-5-carboxylic acid;methyl 2-[3-butyl-2-(2-hydroxyphenyl)benzimidazol-4-yl]-1-(3,3-diphenylpropyl)benzimidazole-5-carboxylate;methyl 1-butyl-2-[3-(2-methylpropyl)-2-(trifluoromethyl)benzimidazol-4-yl]benzimidazole-5-carboxylate;methyl 1-(3,3-diphenylpropyl)-2-[2-(2-hydroxyphenyl)-3-(2-phenylethyl)benzimidazol-4-yl]benzimidazole-5-carboxylate;methyl 1-(3-methoxypropyl)-2-[3-(2-methylpropyl)-2-(trifluoromethyl)benzimidazol-4-yl]benzimidazole-5-carboxylate;methyl 1-[(4-methylphenyl)methyl]-2-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]benzimidazole-5-carboxylate
• SMILES: CCCCc1nc2cccc(-c3nc4cc(C(=O)O)ccc4n3CC(C)C)c2n1CCCC.CCCCn1c(-c2cccc3nc(C(F)(F)F)n(CC(C)C)c23)nc2cc(C(=O)OC)ccc21.CCCCn1c(-c2ccccc2O)nc2cccc(-c3nc4cc(C(=O)OC)ccc4n3CCC(c3ccccc3)c3ccccc3)c21.COC(=O)c1ccc2c(c1)nc(-c1cccc3nc(-c4ccccc4O)n(CCc4ccccc4)c13)n2CCC(c1ccccc1)c1ccccc1.COC(=O)c1ccc2c(c1)nc(-c1ccccc1NC(=O)C(F)(F)F)n2Cc1ccc(C)cc1.COCCCn1c(-c2cccc3nc(C(F)(F)F)n(CC(C)C)c23)nc2cc(C(=O)OC)ccc21
• InChI: InChI=1S/C45H38N4O3.C41H38N4O3.C27H34N4O2.C25H27F3N4O3.C25H27F3N4O2.C25H20F3N3O3/c1-52-45(51)34-24-25-40-39(30-34)47-44(48(40)29-27-35(32-16-7-3-8-17-32)33-18-9-4-10-19-33)37-21-13-22-38-42(37)49(28-26-31-14-5-2-6-15-31)43(46-38)36-20-11-12-23-41(36)50;1-3-4-25-45-38-33(19-13-20-34(38)42-39(45)32-18-11-12-21-37(32)46)40-43-35-27-30(41(47)48-2)22-23-36(35)44(40)26-24-31(28-14-7-5-8-15-28)29-16-9-6-10-17-29;1-5-7-12-24-28-21-11-9-10-20(25(21)30(24)15-8-6-2)26-29-22-16-19(27(32)33)13-14-23(22)31(26)17-18(3)4;1-15(2)14-32-21-17(7-5-8-18(21)30-24(32)25(26,27)28)22-29-19-13-16(23(33)35-4)9-10-20(19)31(22)11-6-12-34-3;1-5-6-12-31-20-11-10-16(23(33)34-4)13-19(20)29-22(31)17-8-7-9-18-21(17)32(14-15(2)3)24(30-18)25(26,27)28;1-15-7-9-16(10-8-15)14-31-21-12-11-17(23(32)34-2)13-20(21)29-22(31)18-5-3-4-6-19(18)30-24(33)25(26,27)28/h2-25,30,35,50H,26-29H2,1H3;5-23,27,31,46H,3-4,24-26H2,1-2H3;9-11,13-14,16,18H,5-8,12,15,17H2,1-4H3,(H,32,33);5,7-10,13,15H,6,11-12,14H2,1-4H3;7-11,13,15H,5-6,12,14H2,1-4H3;3-13H,14H2,1-2H3,(H,30,33)
• InChIKey: ZMTQOTOQUFCKOM-UHFFFAOYSA-N
• XLogP: 42.67
• TPSA: 443.61 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 37
• Rotatable Bonds: 52
• Heavy Atoms: 236
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3192.67
LogP ≤ 5	42.67
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dibutylbenzimidazol-4-yl)-1-(2-methylpropyl)benzimidazole-5-carboxylic acid;methyl 2-[3-butyl-2-(2-hydroxyphenyl)benzimidazol-4-yl]-1-(3,3-diphenylpropyl)benzimidazole-5-carboxylate;methyl 1-butyl-2-[3-(2-methylpropyl)-2-(trifluoromethyl)benzimidazol-4-yl]benzimidazole-5-carboxylate;methyl 1-(3,3-diphenylpropyl)-2-[2-(2-hydroxyphenyl)-3-(2-phenylethyl)benzimidazol-4-yl]benzimidazole-5-carboxylate;methyl 1-(3-methoxypropyl)-2-[3-(2-methylpropyl)-2-(trifluoromethyl)benzimidazol-4-yl]benzimidazole-5-carboxylate;methyl 1-[(4-methylphenyl)methyl]-2-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]benzimidazole-5-carboxylate?

The IUPAC name of 2-(2,3-dibutylbenzimidazol-4-yl)-1-(2-methylpropyl)benzimidazole-5-carboxylic acid;methyl 2-[3-butyl-2-(2-hydroxyphenyl)benzimidazol-4-yl]-1-(3,3-diphenylpropyl)benzimidazole-5-carboxylate;methyl 1-butyl-2-[3-(2-methylpropyl)-2-(trifluoromethyl)benzimidazol-4-yl]benzimidazole-5-carboxylate;methyl 1-(3,3-diphenylpropyl)-2-[2-(2-hydroxyphenyl)-3-(2-phenylethyl)benzimidazol-4-yl]benzimidazole-5-carboxylate;methyl 1-(3-methoxypropyl)-2-[3-(2-methylpropyl)-2-(trifluoromethyl)benzimidazol-4-yl]benzimidazole-5-carboxylate;methyl 1-[(4-methylphenyl)methyl]-2-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]benzimidazole-5-carboxylate (CID 162163200) is 2-(2,3-dibutylbenzimidazol-4-yl)-1-(2-methylpropyl)benzimidazole-5-carboxylic acid;methyl 2-[3-butyl-2-(2-hydroxyphenyl)benzimidazol-4-yl]-1-(3,3-diphenylpropyl)benzimidazole-5-carboxylate;methyl 1-butyl-2-[3-(2-methylpropyl)-2-(trifluoromethyl)benzimidazol-4-yl]benzimidazole-5-carboxylate;methyl 1-(3,3-diphenylpropyl)-2-[2-(2-hydroxyphenyl)-3-(2-phenylethyl)benzimidazol-4-yl]benzimidazole-5-carboxylate;methyl 1-(3-methoxypropyl)-2-[3-(2-methylpropyl)-2-(trifluoromethyl)benzimidazol-4-yl]benzimidazole-5-carboxylate;methyl 1-[(4-methylphenyl)methyl]-2-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]benzimidazole-5-carboxylate.

What is the SMILES notation for 2-(2,3-dibutylbenzimidazol-4-yl)-1-(2-methylpropyl)benzimidazole-5-carboxylic acid;methyl 2-[3-butyl-2-(2-hydroxyphenyl)benzimidazol-4-yl]-1-(3,3-diphenylpropyl)benzimidazole-5-carboxylate;methyl 1-butyl-2-[3-(2-methylpropyl)-2-(trifluoromethyl)benzimidazol-4-yl]benzimidazole-5-carboxylate;methyl 1-(3,3-diphenylpropyl)-2-[2-(2-hydroxyphenyl)-3-(2-phenylethyl)benzimidazol-4-yl]benzimidazole-5-carboxylate;methyl 1-(3-methoxypropyl)-2-[3-(2-methylpropyl)-2-(trifluoromethyl)benzimidazol-4-yl]benzimidazole-5-carboxylate;methyl 1-[(4-methylphenyl)methyl]-2-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]benzimidazole-5-carboxylate?

The canonical SMILES for 2-(2,3-dibutylbenzimidazol-4-yl)-1-(2-methylpropyl)benzimidazole-5-carboxylic acid;methyl 2-[3-butyl-2-(2-hydroxyphenyl)benzimidazol-4-yl]-1-(3,3-diphenylpropyl)benzimidazole-5-carboxylate;methyl 1-butyl-2-[3-(2-methylpropyl)-2-(trifluoromethyl)benzimidazol-4-yl]benzimidazole-5-carboxylate;methyl 1-(3,3-diphenylpropyl)-2-[2-(2-hydroxyphenyl)-3-(2-phenylethyl)benzimidazol-4-yl]benzimidazole-5-carboxylate;methyl 1-(3-methoxypropyl)-2-[3-(2-methylpropyl)-2-(trifluoromethyl)benzimidazol-4-yl]benzimidazole-5-carboxylate;methyl 1-[(4-methylphenyl)methyl]-2-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]benzimidazole-5-carboxylate is CCCCc1nc2cccc(-c3nc4cc(C(=O)O)ccc4n3CC(C)C)c2n1CCCC.CCCCn1c(-c2cccc3nc(C(F)(F)F)n(CC(C)C)c23)nc2cc(C(=O)OC)ccc21.CCCCn1c(-c2ccccc2O)nc2cccc(-c3nc4cc(C(=O)OC)ccc4n3CCC(c3ccccc3)c3ccccc3)c21.COC(=O)c1ccc2c(c1)nc(-c1cccc3nc(-c4ccccc4O)n(CCc4ccccc4)c13)n2CCC(c1ccccc1)c1ccccc1.COC(=O)c1ccc2c(c1)nc(-c1ccccc1NC(=O)C(F)(F)F)n2Cc1ccc(C)cc1.COCCCn1c(-c2cccc3nc(C(F)(F)F)n(CC(C)C)c23)nc2cc(C(=O)OC)ccc21.

What is the InChIKey of 2-(2,3-dibutylbenzimidazol-4-yl)-1-(2-methylpropyl)benzimidazole-5-carboxylic acid;methyl 2-[3-butyl-2-(2-hydroxyphenyl)benzimidazol-4-yl]-1-(3,3-diphenylpropyl)benzimidazole-5-carboxylate;methyl 1-butyl-2-[3-(2-methylpropyl)-2-(trifluoromethyl)benzimidazol-4-yl]benzimidazole-5-carboxylate;methyl 1-(3,3-diphenylpropyl)-2-[2-(2-hydroxyphenyl)-3-(2-phenylethyl)benzimidazol-4-yl]benzimidazole-5-carboxylate;methyl 1-(3-methoxypropyl)-2-[3-(2-methylpropyl)-2-(trifluoromethyl)benzimidazol-4-yl]benzimidazole-5-carboxylate;methyl 1-[(4-methylphenyl)methyl]-2-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]benzimidazole-5-carboxylate?

The InChIKey is ZMTQOTOQUFCKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H38N4O3.C41H38N4O3.C27H34N4O2.C25H27F3N4O3.C25H27F3N4O2.C25H20F3N3O3/c1-52-45(51)34-24-25-40-39(30-34)47-44(48(40)29-27-35(32-16-7-3-8-17-32)33-18-9-4-10-19-33)37-21-13-22-38-42(37)49(28-26-31-14-5-2-6-15-31)43(46-38)36-20-11-12-23-41(36)50;1-3-4-25-45-38-33(19-13-20-34(38)42-39(45)32-18-11-12-21-37(32)46)40-43-35-27-30(41(47)48-2)22-23-36(35)44(40)26-24-31(28-14-7-5-8-15-28)29-16-9-6-10-17-29;1-5-7-12-24-28-21-11-9-10-20(25(21)30(24)15-8-6-2)26-29-22-16-19(27(32)33)13-14-23(22)31(26)17-18(3)4;1-15(2)14-32-21-17(7-5-8-18(21)30-24(32)25(26,27)28)22-29-19-13-16(23(33)35-4)9-10-20(19)31(22)11-6-12-34-3;1-5-6-12-31-20-11-10-16(23(33)34-4)13-19(20)29-22(31)17-8-7-9-18-21(17)32(14-15(2)3)24(30-18)25(26,27)28;1-15-7-9-16(10-8-15)14-31-21-12-11-17(23(32)34-2)13-20(21)29-22(31)18-5-3-4-6-19(18)30-24(33)25(26,27)28/h2-25,30,35,50H,26-29H2,1H3;5-23,27,31,46H,3-4,24-26H2,1-2H3;9-11,13-14,16,18H,5-8,12,15,17H2,1-4H3,(H,32,33);5,7-10,13,15H,6,11-12,14H2,1-4H3;7-11,13,15H,5-6,12,14H2,1-4H3;3-13H,14H2,1-2H3,(H,30,33).

What are the key properties of 2-(2,3-dibutylbenzimidazol-4-yl)-1-(2-methylpropyl)benzimidazole-5-carboxylic acid;methyl 2-[3-butyl-2-(2-hydroxyphenyl)benzimidazol-4-yl]-1-(3,3-diphenylpropyl)benzimidazole-5-carboxylate;methyl 1-butyl-2-[3-(2-methylpropyl)-2-(trifluoromethyl)benzimidazol-4-yl]benzimidazole-5-carboxylate;methyl 1-(3,3-diphenylpropyl)-2-[2-(2-hydroxyphenyl)-3-(2-phenylethyl)benzimidazol-4-yl]benzimidazole-5-carboxylate;methyl 1-(3-methoxypropyl)-2-[3-(2-methylpropyl)-2-(trifluoromethyl)benzimidazol-4-yl]benzimidazole-5-carboxylate;methyl 1-[(4-methylphenyl)methyl]-2-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]benzimidazole-5-carboxylate?

2-(2,3-dibutylbenzimidazol-4-yl)-1-(2-methylpropyl)benzimidazole-5-carboxylic acid;methyl 2-[3-butyl-2-(2-hydroxyphenyl)benzimidazol-4-yl]-1-(3,3-diphenylpropyl)benzimidazole-5-carboxylate;methyl 1-butyl-2-[3-(2-methylpropyl)-2-(trifluoromethyl)benzimidazol-4-yl]benzimidazole-5-carboxylate;methyl 1-(3,3-diphenylpropyl)-2-[2-(2-hydroxyphenyl)-3-(2-phenylethyl)benzimidazol-4-yl]benzimidazole-5-carboxylate;methyl 1-(3-methoxypropyl)-2-[3-(2-methylpropyl)-2-(trifluoromethyl)benzimidazol-4-yl]benzimidazole-5-carboxylate;methyl 1-[(4-methylphenyl)methyl]-2-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]benzimidazole-5-carboxylate has a molecular weight of 3192.67 g/mol, XLogP of 42.67, 52 rotatable bonds, 4 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,3-dibutylbenzimidazol-4-yl)-1-(2-methylpropyl)benzimidazole-5-carboxylic acid;methyl 2-[3-butyl-2-(2-hydroxyphenyl)benzimidazol-4-yl]-1-(3,3-diphenylpropyl)benzimidazole-5-carboxylate;methyl 1-butyl-2-[3-(2-methylpropyl)-2-(trifluoromethyl)benzimidazol-4-yl]benzimidazole-5-carboxylate;methyl 1-(3,3-diphenylpropyl)-2-[2-(2-hydroxyphenyl)-3-(2-phenylethyl)benzimidazol-4-yl]benzimidazole-5-carboxylate;methyl 1-(3-methoxypropyl)-2-[3-(2-methylpropyl)-2-(trifluoromethyl)benzimidazol-4-yl]benzimidazole-5-carboxylate;methyl 1-[(4-methylphenyl)methyl]-2-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]benzimidazole-5-carboxylate is sourced from PubChem (CID 162163200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).