2-cyclopropyl-1-[6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-3H-indol-4-yl]ethanone;2-[4-(2-hydroxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(2-hydroxyphenyl)phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;3-methyl-1-[6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-3H-indol-4-yl]butan-1-one;6-methyl-2-[2-(4-phenylmethoxyphenyl)ethynyl]-1H-benzimidazole-4-carboxylic acid;5-[6-methyl-2-(4-phenylphenyl)-1H-benzimidazol-4-yl]-3H-1,3,4-oxadiazol-2-one;6-methyl-2-[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid

C165H129F8N15O15 — CID 158494803

About 2-cyclopropyl-1-[6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-3H-indol-4-yl]ethanone;2-[4-(2-hydroxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(2-hydroxyphenyl)phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;3-methyl-1-[6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-3H-indol-4-yl]butan-1-one;6-methyl-2-[2-(4-phenylmethoxyphenyl)ethynyl]-1H-benzimidazole-4-carboxylic acid;5-[6-methyl-2-(4-phenylphenyl)-1H-benzimidazol-4-yl]-3H-1,3,4-oxadiazol-2-one;6-methyl-2-[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid

2-cyclopropyl-1-[6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-3H-indol-4-yl]ethanone;2-[4-(2-hydroxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(2-hydroxyphenyl)phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;3-methyl-1-[6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-3H-indol-4-yl]butan-1-one;6-methyl-2-[2-(4-phenylmethoxyphenyl)ethynyl]-1H-benzimidazole-4-carboxylic acid;5-[6-methyl-2-(4-phenylphenyl)-1H-benzimidazol-4-yl]-3H-1,3,4-oxadiazol-2-one;6-methyl-2-[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid (PubChem CID 158494803) has the molecular formula C165H129F8N15O15 and a molecular weight of 2713.92 g/mol. Its IUPAC name is 2-cyclopropyl-1-[6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-3H-indol-4-yl]ethanone;2-[4-(2-hydroxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(2-hydroxyphenyl)phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;3-methyl-1-[6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-3H-indol-4-yl]butan-1-one;6-methyl-2-[2-(4-phenylmethoxyphenyl)ethynyl]-1H-benzimidazole-4-carboxylic acid;5-[6-methyl-2-(4-phenylphenyl)-1H-benzimidazol-4-yl]-3H-1,3,4-oxadiazol-2-one;6-methyl-2-[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid.

Molecular Properties

• Compound Name: 2-cyclopropyl-1-[6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-3H-indol-4-yl]ethanone;2-[4-(2-hydroxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(2-hydroxyphenyl)phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;3-methyl-1-[6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-3H-indol-4-yl]butan-1-one;6-methyl-2-[2-(4-phenylmethoxyphenyl)ethynyl]-1H-benzimidazole-4-carboxylic acid;5-[6-methyl-2-(4-phenylphenyl)-1H-benzimidazol-4-yl]-3H-1,3,4-oxadiazol-2-one;6-methyl-2-[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid
• PubChem CID: 158494803
• Molecular Formula: C165H129F8N15O15
• Molecular Weight: 2713.92 g/mol
• Exact Mass: 2711.97
• IUPAC Name: 2-cyclopropyl-1-[6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-3H-indol-4-yl]ethanone;2-[4-(2-hydroxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(2-hydroxyphenyl)phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;3-methyl-1-[6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-3H-indol-4-yl]butan-1-one;6-methyl-2-[2-(4-phenylmethoxyphenyl)ethynyl]-1H-benzimidazole-4-carboxylic acid;5-[6-methyl-2-(4-phenylphenyl)-1H-benzimidazol-4-yl]-3H-1,3,4-oxadiazol-2-one;6-methyl-2-[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid
• SMILES: Cc1cc(-c2n[nH]c(=O)o2)c2nc(-c3ccc(-c4ccccc4)cc3)[nH]c2c1.Cc1cc(C(=O)O)c2nc(-c3ccc(-c4ccc(CN5CCCC5)cc4)cc3)[nH]c2c1.Cc1cc(C(=O)O)c2nc(-c3ccc(-c4ccccc4O)cc3)[nH]c2c1.Cc1cc(C(=O)O)c2nc(C#Cc3ccc(OCc4ccccc4)cc3)[nH]c2c1.Cc1cc2c(c(C(=O)CC(C)C)c1)CC(c1c(F)c(F)c(-c3ccccc3)c(F)c1F)=N2.Cc1cc2c(c(C(=O)CC3CC3)c1)CC(c1c(F)c(F)c(-c3ccccc3)c(F)c1F)=N2.O=C(O)c1cccc2[nH]c(-c3ccc(-c4ccccc4O)cc3)nc12
• InChI: InChI=1S/C26H19F4NO.C26H21F4NO.C26H25N3O2.C24H18N2O3.C22H16N4O2.C21H16N2O3.C20H14N2O3/c1-13-9-17(20(32)11-14-7-8-14)16-12-19(31-18(16)10-13)22-25(29)23(27)21(24(28)26(22)30)15-5-3-2-4-6-15;1-13(2)9-20(32)17-10-14(3)11-18-16(17)12-19(31-18)22-25(29)23(27)21(24(28)26(22)30)15-7-5-4-6-8-15;1-17-14-22(26(30)31)24-23(15-17)27-25(28-24)21-10-8-20(9-11-21)19-6-4-18(5-7-19)16-29-12-2-3-13-29;1-16-13-20(24(27)28)23-21(14-16)25-22(26-23)12-9-17-7-10-19(11-8-17)29-15-18-5-3-2-4-6-18;1-13-11-17(21-25-26-22(27)28-21)19-18(12-13)23-20(24-19)16-9-7-15(8-10-16)14-5-3-2-4-6-14;1-12-10-16(21(25)26)19-17(11-12)22-20(23-19)14-8-6-13(7-9-14)15-4-2-3-5-18(15)24;23-17-7-2-1-4-14(17)12-8-10-13(11-9-12)19-21-16-6-3-5-15(20(24)25)18(16)22-19/h2-6,9-10,14H,7-8,11-12H2,1H3;4-8,10-11,13H,9,12H2,1-3H3;4-11,14-15H,2-3,12-13,16H2,1H3,(H,27,28)(H,30,31);2-8,10-11,13-14H,15H2,1H3,(H,25,26)(H,27,28);2-12H,1H3,(H,23,24)(H,26,27);2-11,24H,1H3,(H,22,23)(H,25,26);1-11,23H,(H,21,22)(H,24,25)
• InChIKey: HJDKNOMPOQBTJF-UHFFFAOYSA-N
• XLogP: 37.51
• TPSA: 463.28 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 20
• Rotatable Bonds: 28
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2713.92
LogP ≤ 5	37.51
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-3H-indol-4-yl]ethanone;2-[4-(2-hydroxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(2-hydroxyphenyl)phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;3-methyl-1-[6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-3H-indol-4-yl]butan-1-one;6-methyl-2-[2-(4-phenylmethoxyphenyl)ethynyl]-1H-benzimidazole-4-carboxylic acid;5-[6-methyl-2-(4-phenylphenyl)-1H-benzimidazol-4-yl]-3H-1,3,4-oxadiazol-2-one;6-methyl-2-[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid?

The IUPAC name of 2-cyclopropyl-1-[6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-3H-indol-4-yl]ethanone;2-[4-(2-hydroxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(2-hydroxyphenyl)phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;3-methyl-1-[6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-3H-indol-4-yl]butan-1-one;6-methyl-2-[2-(4-phenylmethoxyphenyl)ethynyl]-1H-benzimidazole-4-carboxylic acid;5-[6-methyl-2-(4-phenylphenyl)-1H-benzimidazol-4-yl]-3H-1,3,4-oxadiazol-2-one;6-methyl-2-[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid (CID 158494803) is 2-cyclopropyl-1-[6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-3H-indol-4-yl]ethanone;2-[4-(2-hydroxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(2-hydroxyphenyl)phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;3-methyl-1-[6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-3H-indol-4-yl]butan-1-one;6-methyl-2-[2-(4-phenylmethoxyphenyl)ethynyl]-1H-benzimidazole-4-carboxylic acid;5-[6-methyl-2-(4-phenylphenyl)-1H-benzimidazol-4-yl]-3H-1,3,4-oxadiazol-2-one;6-methyl-2-[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid.

What is the SMILES notation for 2-cyclopropyl-1-[6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-3H-indol-4-yl]ethanone;2-[4-(2-hydroxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(2-hydroxyphenyl)phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;3-methyl-1-[6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-3H-indol-4-yl]butan-1-one;6-methyl-2-[2-(4-phenylmethoxyphenyl)ethynyl]-1H-benzimidazole-4-carboxylic acid;5-[6-methyl-2-(4-phenylphenyl)-1H-benzimidazol-4-yl]-3H-1,3,4-oxadiazol-2-one;6-methyl-2-[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid?

The canonical SMILES for 2-cyclopropyl-1-[6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-3H-indol-4-yl]ethanone;2-[4-(2-hydroxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(2-hydroxyphenyl)phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;3-methyl-1-[6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-3H-indol-4-yl]butan-1-one;6-methyl-2-[2-(4-phenylmethoxyphenyl)ethynyl]-1H-benzimidazole-4-carboxylic acid;5-[6-methyl-2-(4-phenylphenyl)-1H-benzimidazol-4-yl]-3H-1,3,4-oxadiazol-2-one;6-methyl-2-[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid is Cc1cc(-c2n[nH]c(=O)o2)c2nc(-c3ccc(-c4ccccc4)cc3)[nH]c2c1.Cc1cc(C(=O)O)c2nc(-c3ccc(-c4ccc(CN5CCCC5)cc4)cc3)[nH]c2c1.Cc1cc(C(=O)O)c2nc(-c3ccc(-c4ccccc4O)cc3)[nH]c2c1.Cc1cc(C(=O)O)c2nc(C#Cc3ccc(OCc4ccccc4)cc3)[nH]c2c1.Cc1cc2c(c(C(=O)CC(C)C)c1)CC(c1c(F)c(F)c(-c3ccccc3)c(F)c1F)=N2.Cc1cc2c(c(C(=O)CC3CC3)c1)CC(c1c(F)c(F)c(-c3ccccc3)c(F)c1F)=N2.O=C(O)c1cccc2[nH]c(-c3ccc(-c4ccccc4O)cc3)nc12.

What is the InChIKey of 2-cyclopropyl-1-[6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-3H-indol-4-yl]ethanone;2-[4-(2-hydroxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(2-hydroxyphenyl)phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;3-methyl-1-[6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-3H-indol-4-yl]butan-1-one;6-methyl-2-[2-(4-phenylmethoxyphenyl)ethynyl]-1H-benzimidazole-4-carboxylic acid;5-[6-methyl-2-(4-phenylphenyl)-1H-benzimidazol-4-yl]-3H-1,3,4-oxadiazol-2-one;6-methyl-2-[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid?

The InChIKey is HJDKNOMPOQBTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F4NO.C26H21F4NO.C26H25N3O2.C24H18N2O3.C22H16N4O2.C21H16N2O3.C20H14N2O3/c1-13-9-17(20(32)11-14-7-8-14)16-12-19(31-18(16)10-13)22-25(29)23(27)21(24(28)26(22)30)15-5-3-2-4-6-15;1-13(2)9-20(32)17-10-14(3)11-18-16(17)12-19(31-18)22-25(29)23(27)21(24(28)26(22)30)15-7-5-4-6-8-15;1-17-14-22(26(30)31)24-23(15-17)27-25(28-24)21-10-8-20(9-11-21)19-6-4-18(5-7-19)16-29-12-2-3-13-29;1-16-13-20(24(27)28)23-21(14-16)25-22(26-23)12-9-17-7-10-19(11-8-17)29-15-18-5-3-2-4-6-18;1-13-11-17(21-25-26-22(27)28-21)19-18(12-13)23-20(24-19)16-9-7-15(8-10-16)14-5-3-2-4-6-14;1-12-10-16(21(25)26)19-17(11-12)22-20(23-19)14-8-6-13(7-9-14)15-4-2-3-5-18(15)24;23-17-7-2-1-4-14(17)12-8-10-13(11-9-12)19-21-16-6-3-5-15(20(24)25)18(16)22-19/h2-6,9-10,14H,7-8,11-12H2,1H3;4-8,10-11,13H,9,12H2,1-3H3;4-11,14-15H,2-3,12-13,16H2,1H3,(H,27,28)(H,30,31);2-8,10-11,13-14H,15H2,1H3,(H,25,26)(H,27,28);2-12H,1H3,(H,23,24)(H,26,27);2-11,24H,1H3,(H,22,23)(H,25,26);1-11,23H,(H,21,22)(H,24,25).

What are the key properties of 2-cyclopropyl-1-[6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-3H-indol-4-yl]ethanone;2-[4-(2-hydroxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(2-hydroxyphenyl)phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;3-methyl-1-[6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-3H-indol-4-yl]butan-1-one;6-methyl-2-[2-(4-phenylmethoxyphenyl)ethynyl]-1H-benzimidazole-4-carboxylic acid;5-[6-methyl-2-(4-phenylphenyl)-1H-benzimidazol-4-yl]-3H-1,3,4-oxadiazol-2-one;6-methyl-2-[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid?

2-cyclopropyl-1-[6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-3H-indol-4-yl]ethanone;2-[4-(2-hydroxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(2-hydroxyphenyl)phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;3-methyl-1-[6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-3H-indol-4-yl]butan-1-one;6-methyl-2-[2-(4-phenylmethoxyphenyl)ethynyl]-1H-benzimidazole-4-carboxylic acid;5-[6-methyl-2-(4-phenylphenyl)-1H-benzimidazol-4-yl]-3H-1,3,4-oxadiazol-2-one;6-methyl-2-[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid has a molecular weight of 2713.92 g/mol, XLogP of 37.51, 28 rotatable bonds, 12 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopropyl-1-[6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-3H-indol-4-yl]ethanone;2-[4-(2-hydroxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(2-hydroxyphenyl)phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;3-methyl-1-[6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-3H-indol-4-yl]butan-1-one;6-methyl-2-[2-(4-phenylmethoxyphenyl)ethynyl]-1H-benzimidazole-4-carboxylic acid;5-[6-methyl-2-(4-phenylphenyl)-1H-benzimidazol-4-yl]-3H-1,3,4-oxadiazol-2-one;6-methyl-2-[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 158494803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).