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

C86H70F6N12O6 — CID 157453461

IUPAC3,3-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
SMILESC.Cc1ccc(NC(=O)c2cc(-c3cccc4c3C(C)(C)C(=O)N4c3cccnc3)cnc2C(F)(F)F)nc1.Cc1ccc(NC(=O)c2cc(-c3cccc4c3oc(=O)n4-c3cccnc3)ccc2C)cc1.Cc1ccc2nc(-c3cc(-c4cccc5c4C(C)(C)C(=O)N5c4cccnc4)ccc3C(F)(F)F)[nH]c2c1
InChIInChI=1S/C30H23F3N4O.C28H22F3N5O2.C27H21N3O3.CH4/c1-17-9-12-23-24(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;/h4-16H,1-3H3,(H,35,36);4-15H,1-3H3,(H,33,35,37);3-16H,1-2H3,(H,29,31);1H4
InChIKeyBTBKOSZMELNENM-UHFFFAOYSA-N
MW1481.57 g/mol
LogP19.80
Rot. Bonds11

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

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 (PubChem CID 157453461) has the molecular formula C86H70F6N12O6 and a molecular weight of 1481.57 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.

Molecular Properties

Compound Name3,3-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
PubChem CID157453461
Molecular FormulaC86H70F6N12O6
Molecular Weight1481.57 g/mol
Exact Mass1480.54
IUPAC Name3,3-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
SMILESC.Cc1ccc(NC(=O)c2cc(-c3cccc4c3C(C)(C)C(=O)N4c3cccnc3)cnc2C(F)(F)F)nc1.Cc1ccc(NC(=O)c2cc(-c3cccc4c3oc(=O)n4-c3cccnc3)ccc2C)cc1.Cc1ccc2nc(-c3cc(-c4cccc5c4C(C)(C)C(=O)N5c4cccnc4)ccc3C(F)(F)F)[nH]c2c1
InChIInChI=1S/C30H23F3N4O.C28H22F3N5O2.C27H21N3O3.CH4/c1-17-9-12-23-24(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;/h4-16H,1-3H3,(H,35,36);4-15H,1-3H3,(H,33,35,37);3-16H,1-2H3,(H,29,31);1H4
InChIKeyBTBKOSZMELNENM-UHFFFAOYSA-N
XLogP19.80
TPSA227.09 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms110
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001481.57
LogP ≤ 519.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze 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 with MolForge

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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?
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 (CID 157453461) 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.
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?
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 is C.Cc1ccc(NC(=O)c2cc(-c3cccc4c3C(C)(C)C(=O)N4c3cccnc3)cnc2C(F)(F)F)nc1.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?
The InChIKey is BTBKOSZMELNENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23F3N4O.C28H22F3N5O2.C27H21N3O3.CH4/c1-17-9-12-23-24(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;/h4-16H,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?
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 has a molecular weight of 1481.57 g/mol, XLogP of 19.80, 11 rotatable bonds, 3 hydrogen bond donors, and 13 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 is sourced from PubChem (CID 157453461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).