3,3-dimethyl-4-[3-(6-methyl-1H-benzimidazol-2-yl)-4-(trifluoromethyl)phenyl]-1-pyridin-3-ylindol-2-one;5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylindol-4-yl)-N-(5-methyl-2-pyridinyl)-2-(trifluoromethyl)pyridine-3-carboxamide;methane;2-methyl-N-(4-methylphenyl)-5-(2-oxo-3-pyridin-3-yl-1,3-benzoxazol-7-yl)benzamide;N-(4-methylphenyl)-5-(2'-oxo-1'-pyrimidin-2-ylspiro[cyclobutane-1,3'-indole]-4'-yl)-2-(trifluoromethyl)benzamide

C116H93F9N16O8 — CID 159678317

About 3,3-dimethyl-4-[3-(6-methyl-1H-benzimidazol-2-yl)-4-(trifluoromethyl)phenyl]-1-pyridin-3-ylindol-2-one;5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylindol-4-yl)-N-(5-methyl-2-pyridinyl)-2-(trifluoromethyl)pyridine-3-carboxamide;methane;2-methyl-N-(4-methylphenyl)-5-(2-oxo-3-pyridin-3-yl-1,3-benzoxazol-7-yl)benzamide;N-(4-methylphenyl)-5-(2'-oxo-1'-pyrimidin-2-ylspiro[cyclobutane-1,3'-indole]-4'-yl)-2-(trifluoromethyl)benzamide

3,3-dimethyl-4-[3-(6-methyl-1H-benzimidazol-2-yl)-4-(trifluoromethyl)phenyl]-1-pyridin-3-ylindol-2-one;5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylindol-4-yl)-N-(5-methyl-2-pyridinyl)-2-(trifluoromethyl)pyridine-3-carboxamide;methane;2-methyl-N-(4-methylphenyl)-5-(2-oxo-3-pyridin-3-yl-1,3-benzoxazol-7-yl)benzamide;N-(4-methylphenyl)-5-(2'-oxo-1'-pyrimidin-2-ylspiro[cyclobutane-1,3'-indole]-4'-yl)-2-(trifluoromethyl)benzamide (PubChem CID 159678317) has the molecular formula C116H93F9N16O8 and a molecular weight of 2010.11 g/mol. Its IUPAC name is 3,3-dimethyl-4-[3-(6-methyl-1H-benzimidazol-2-yl)-4-(trifluoromethyl)phenyl]-1-pyridin-3-ylindol-2-one;5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylindol-4-yl)-N-(5-methyl-2-pyridinyl)-2-(trifluoromethyl)pyridine-3-carboxamide;methane;2-methyl-N-(4-methylphenyl)-5-(2-oxo-3-pyridin-3-yl-1,3-benzoxazol-7-yl)benzamide;N-(4-methylphenyl)-5-(2'-oxo-1'-pyrimidin-2-ylspiro[cyclobutane-1,3'-indole]-4'-yl)-2-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: 3,3-dimethyl-4-[3-(6-methyl-1H-benzimidazol-2-yl)-4-(trifluoromethyl)phenyl]-1-pyridin-3-ylindol-2-one;5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylindol-4-yl)-N-(5-methyl-2-pyridinyl)-2-(trifluoromethyl)pyridine-3-carboxamide;methane;2-methyl-N-(4-methylphenyl)-5-(2-oxo-3-pyridin-3-yl-1,3-benzoxazol-7-yl)benzamide;N-(4-methylphenyl)-5-(2'-oxo-1'-pyrimidin-2-ylspiro[cyclobutane-1,3'-indole]-4'-yl)-2-(trifluoromethyl)benzamide
• PubChem CID: 159678317
• Molecular Formula: C116H93F9N16O8
• Molecular Weight: 2010.11 g/mol
• Exact Mass: 2008.72
• IUPAC Name: 3,3-dimethyl-4-[3-(6-methyl-1H-benzimidazol-2-yl)-4-(trifluoromethyl)phenyl]-1-pyridin-3-ylindol-2-one;5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylindol-4-yl)-N-(5-methyl-2-pyridinyl)-2-(trifluoromethyl)pyridine-3-carboxamide;methane;2-methyl-N-(4-methylphenyl)-5-(2-oxo-3-pyridin-3-yl-1,3-benzoxazol-7-yl)benzamide;N-(4-methylphenyl)-5-(2'-oxo-1'-pyrimidin-2-ylspiro[cyclobutane-1,3'-indole]-4'-yl)-2-(trifluoromethyl)benzamide
• SMILES: C.Cc1ccc(NC(=O)c2cc(-c3cccc4c3C(C)(C)C(=O)N4c3cccnc3)cnc2C(F)(F)F)nc1.Cc1ccc(NC(=O)c2cc(-c3cccc4c3C3(CCC3)C(=O)N4c3ncccn3)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccc4c3oc(=O)n4-c3cccnc3)ccc2C)cc1.Cc1ccc2nc(-c3cc(-c4cccc5c4C(C)(C)C(=O)N5c4cccnc4)ccc3C(F)(F)F)[nH]c2c1
• InChI: InChI=1S/C30H23F3N4O2.C30H23F3N4O.C28H22F3N5O2.C27H21N3O3.CH4/c1-18-7-10-20(11-8-18)36-26(38)22-17-19(9-12-23(22)30(31,32)33)21-5-2-6-24-25(21)29(13-3-14-29)27(39)37(24)28-34-15-4-16-35-28;1-17-9-12-23-24(14-17)36-27(35-23)21-15-18(10-11-22(21)30(31,32)33)20-7-4-8-25-26(20)29(2,3)28(38)37(25)19-6-5-13-34-16-19;1-16-9-10-22(33-13-16)35-25(37)20-12-17(14-34-24(20)28(29,30)31)19-7-4-8-21-23(19)27(2,3)26(38)36(21)18-6-5-11-32-15-18;1-17-8-12-20(13-9-17)29-26(31)23-15-19(11-10-18(23)2)22-6-3-7-24-25(22)33-27(32)30(24)21-5-4-14-28-16-21;/h2,4-12,15-17H,3,13-14H2,1H3,(H,36,38);4-16H,1-3H3,(H,35,36);4-15H,1-3H3,(H,33,35,37);3-16H,1-2H3,(H,29,31);1H4
• InChIKey: MUWXHKHYLUZICA-UHFFFAOYSA-N
• XLogP: 26.62
• TPSA: 302.28 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 15
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2010.11
LogP ≤ 5	26.62
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-[3-(6-methyl-1H-benzimidazol-2-yl)-4-(trifluoromethyl)phenyl]-1-pyridin-3-ylindol-2-one;5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylindol-4-yl)-N-(5-methyl-2-pyridinyl)-2-(trifluoromethyl)pyridine-3-carboxamide;methane;2-methyl-N-(4-methylphenyl)-5-(2-oxo-3-pyridin-3-yl-1,3-benzoxazol-7-yl)benzamide;N-(4-methylphenyl)-5-(2'-oxo-1'-pyrimidin-2-ylspiro[cyclobutane-1,3'-indole]-4'-yl)-2-(trifluoromethyl)benzamide?

The IUPAC name of 3,3-dimethyl-4-[3-(6-methyl-1H-benzimidazol-2-yl)-4-(trifluoromethyl)phenyl]-1-pyridin-3-ylindol-2-one;5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylindol-4-yl)-N-(5-methyl-2-pyridinyl)-2-(trifluoromethyl)pyridine-3-carboxamide;methane;2-methyl-N-(4-methylphenyl)-5-(2-oxo-3-pyridin-3-yl-1,3-benzoxazol-7-yl)benzamide;N-(4-methylphenyl)-5-(2'-oxo-1'-pyrimidin-2-ylspiro[cyclobutane-1,3'-indole]-4'-yl)-2-(trifluoromethyl)benzamide (CID 159678317) is 3,3-dimethyl-4-[3-(6-methyl-1H-benzimidazol-2-yl)-4-(trifluoromethyl)phenyl]-1-pyridin-3-ylindol-2-one;5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylindol-4-yl)-N-(5-methyl-2-pyridinyl)-2-(trifluoromethyl)pyridine-3-carboxamide;methane;2-methyl-N-(4-methylphenyl)-5-(2-oxo-3-pyridin-3-yl-1,3-benzoxazol-7-yl)benzamide;N-(4-methylphenyl)-5-(2'-oxo-1'-pyrimidin-2-ylspiro[cyclobutane-1,3'-indole]-4'-yl)-2-(trifluoromethyl)benzamide.

What is the SMILES notation for 3,3-dimethyl-4-[3-(6-methyl-1H-benzimidazol-2-yl)-4-(trifluoromethyl)phenyl]-1-pyridin-3-ylindol-2-one;5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylindol-4-yl)-N-(5-methyl-2-pyridinyl)-2-(trifluoromethyl)pyridine-3-carboxamide;methane;2-methyl-N-(4-methylphenyl)-5-(2-oxo-3-pyridin-3-yl-1,3-benzoxazol-7-yl)benzamide;N-(4-methylphenyl)-5-(2'-oxo-1'-pyrimidin-2-ylspiro[cyclobutane-1,3'-indole]-4'-yl)-2-(trifluoromethyl)benzamide?

The canonical SMILES for 3,3-dimethyl-4-[3-(6-methyl-1H-benzimidazol-2-yl)-4-(trifluoromethyl)phenyl]-1-pyridin-3-ylindol-2-one;5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylindol-4-yl)-N-(5-methyl-2-pyridinyl)-2-(trifluoromethyl)pyridine-3-carboxamide;methane;2-methyl-N-(4-methylphenyl)-5-(2-oxo-3-pyridin-3-yl-1,3-benzoxazol-7-yl)benzamide;N-(4-methylphenyl)-5-(2'-oxo-1'-pyrimidin-2-ylspiro[cyclobutane-1,3'-indole]-4'-yl)-2-(trifluoromethyl)benzamide is C.Cc1ccc(NC(=O)c2cc(-c3cccc4c3C(C)(C)C(=O)N4c3cccnc3)cnc2C(F)(F)F)nc1.Cc1ccc(NC(=O)c2cc(-c3cccc4c3C3(CCC3)C(=O)N4c3ncccn3)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccc4c3oc(=O)n4-c3cccnc3)ccc2C)cc1.Cc1ccc2nc(-c3cc(-c4cccc5c4C(C)(C)C(=O)N5c4cccnc4)ccc3C(F)(F)F)[nH]c2c1.

What is the InChIKey of 3,3-dimethyl-4-[3-(6-methyl-1H-benzimidazol-2-yl)-4-(trifluoromethyl)phenyl]-1-pyridin-3-ylindol-2-one;5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylindol-4-yl)-N-(5-methyl-2-pyridinyl)-2-(trifluoromethyl)pyridine-3-carboxamide;methane;2-methyl-N-(4-methylphenyl)-5-(2-oxo-3-pyridin-3-yl-1,3-benzoxazol-7-yl)benzamide;N-(4-methylphenyl)-5-(2'-oxo-1'-pyrimidin-2-ylspiro[cyclobutane-1,3'-indole]-4'-yl)-2-(trifluoromethyl)benzamide?

The InChIKey is MUWXHKHYLUZICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23F3N4O2.C30H23F3N4O.C28H22F3N5O2.C27H21N3O3.CH4/c1-18-7-10-20(11-8-18)36-26(38)22-17-19(9-12-23(22)30(31,32)33)21-5-2-6-24-25(21)29(13-3-14-29)27(39)37(24)28-34-15-4-16-35-28;1-17-9-12-23-24(14-17)36-27(35-23)21-15-18(10-11-22(21)30(31,32)33)20-7-4-8-25-26(20)29(2,3)28(38)37(25)19-6-5-13-34-16-19;1-16-9-10-22(33-13-16)35-25(37)20-12-17(14-34-24(20)28(29,30)31)19-7-4-8-21-23(19)27(2,3)26(38)36(21)18-6-5-11-32-15-18;1-17-8-12-20(13-9-17)29-26(31)23-15-19(11-10-18(23)2)22-6-3-7-24-25(22)33-27(32)30(24)21-5-4-14-28-16-21;/h2,4-12,15-17H,3,13-14H2,1H3,(H,36,38);4-16H,1-3H3,(H,35,36);4-15H,1-3H3,(H,33,35,37);3-16H,1-2H3,(H,29,31);1H4.

What are the key properties of 3,3-dimethyl-4-[3-(6-methyl-1H-benzimidazol-2-yl)-4-(trifluoromethyl)phenyl]-1-pyridin-3-ylindol-2-one;5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylindol-4-yl)-N-(5-methyl-2-pyridinyl)-2-(trifluoromethyl)pyridine-3-carboxamide;methane;2-methyl-N-(4-methylphenyl)-5-(2-oxo-3-pyridin-3-yl-1,3-benzoxazol-7-yl)benzamide;N-(4-methylphenyl)-5-(2'-oxo-1'-pyrimidin-2-ylspiro[cyclobutane-1,3'-indole]-4'-yl)-2-(trifluoromethyl)benzamide?

3,3-dimethyl-4-[3-(6-methyl-1H-benzimidazol-2-yl)-4-(trifluoromethyl)phenyl]-1-pyridin-3-ylindol-2-one;5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylindol-4-yl)-N-(5-methyl-2-pyridinyl)-2-(trifluoromethyl)pyridine-3-carboxamide;methane;2-methyl-N-(4-methylphenyl)-5-(2-oxo-3-pyridin-3-yl-1,3-benzoxazol-7-yl)benzamide;N-(4-methylphenyl)-5-(2'-oxo-1'-pyrimidin-2-ylspiro[cyclobutane-1,3'-indole]-4'-yl)-2-(trifluoromethyl)benzamide has a molecular weight of 2010.11 g/mol, XLogP of 26.62, 15 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 3,3-dimethyl-4-[3-(6-methyl-1H-benzimidazol-2-yl)-4-(trifluoromethyl)phenyl]-1-pyridin-3-ylindol-2-one;5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylindol-4-yl)-N-(5-methyl-2-pyridinyl)-2-(trifluoromethyl)pyridine-3-carboxamide;methane;2-methyl-N-(4-methylphenyl)-5-(2-oxo-3-pyridin-3-yl-1,3-benzoxazol-7-yl)benzamide;N-(4-methylphenyl)-5-(2'-oxo-1'-pyrimidin-2-ylspiro[cyclobutane-1,3'-indole]-4'-yl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 159678317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).