5-[1-(2,3-difluorophenyl)-2-oxo-3H-benzimidazol-4-yl]-2-methyl-N-(4-methylphenyl)benzamide;5-[3,3-dimethyl-1-(1-methylpyrazol-4-yl)-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide

C85H71F5N12O6 — CID 158528583

IUPAC5-[1-(2,3-difluorophenyl)-2-oxo-3H-benzimidazol-4-yl]-2-methyl-N-(4-methylphenyl)benzamide;5-[3,3-dimethyl-1-(1-methylpyrazol-4-yl)-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3cccc4c3C(C)(C)C(=O)N4c3cnn(C)c3)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccc4c3C(C)(C)C(=O)N4c3ncccn3)cnc2C)cc1.Cc1ccc(NC(=O)c2cc(-c3cccc4c3[nH]c(=O)n4-c3cccc(F)c3F)ccc2C)cc1
InChIInChI=1S/C29H25F3N4O2.C28H21F2N3O2.C28H25N5O2/c1-17-8-11-19(12-9-17)34-26(37)22-14-18(10-13-23(22)29(30,31)32)21-6-5-7-24-25(21)28(2,3)27(38)36(24)20-15-33-35(4)16-20;1-16-9-13-19(14-10-16)31-27(34)21-15-18(12-11-17(21)2)20-5-3-8-24-26(20)32-28(35)33(24)23-7-4-6-22(29)25(23)30;1-17-9-11-20(12-10-17)32-25(34)22-15-19(16-31-18(22)2)21-7-5-8-23-24(21)28(3,4)26(35)33(23)27-29-13-6-14-30-27/h5-16H,1-4H3,(H,34,37);3-15H,1-2H3,(H,31,34)(H,32,35);5-16H,1-4H3,(H,32,34)
InChIKeyHNBWBTPYCSCJJN-UHFFFAOYSA-N
MW1451.57 g/mol
LogP18.12
Rot. Bonds12

About 5-[1-(2,3-difluorophenyl)-2-oxo-3H-benzimidazol-4-yl]-2-methyl-N-(4-methylphenyl)benzamide;5-[3,3-dimethyl-1-(1-methylpyrazol-4-yl)-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide

5-[1-(2,3-difluorophenyl)-2-oxo-3H-benzimidazol-4-yl]-2-methyl-N-(4-methylphenyl)benzamide;5-[3,3-dimethyl-1-(1-methylpyrazol-4-yl)-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide (PubChem CID 158528583) has the molecular formula C85H71F5N12O6 and a molecular weight of 1451.57 g/mol. Its IUPAC name is 5-[1-(2,3-difluorophenyl)-2-oxo-3H-benzimidazol-4-yl]-2-methyl-N-(4-methylphenyl)benzamide;5-[3,3-dimethyl-1-(1-methylpyrazol-4-yl)-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[1-(2,3-difluorophenyl)-2-oxo-3H-benzimidazol-4-yl]-2-methyl-N-(4-methylphenyl)benzamide;5-[3,3-dimethyl-1-(1-methylpyrazol-4-yl)-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide
PubChem CID158528583
Molecular FormulaC85H71F5N12O6
Molecular Weight1451.57 g/mol
Exact Mass1450.55
IUPAC Name5-[1-(2,3-difluorophenyl)-2-oxo-3H-benzimidazol-4-yl]-2-methyl-N-(4-methylphenyl)benzamide;5-[3,3-dimethyl-1-(1-methylpyrazol-4-yl)-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3cccc4c3C(C)(C)C(=O)N4c3cnn(C)c3)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccc4c3C(C)(C)C(=O)N4c3ncccn3)cnc2C)cc1.Cc1ccc(NC(=O)c2cc(-c3cccc4c3[nH]c(=O)n4-c3cccc(F)c3F)ccc2C)cc1
InChIInChI=1S/C29H25F3N4O2.C28H21F2N3O2.C28H25N5O2/c1-17-8-11-19(12-9-17)34-26(37)22-14-18(10-13-23(22)29(30,31)32)21-6-5-7-24-25(21)28(2,3)27(38)36(24)20-15-33-35(4)16-20;1-16-9-13-19(14-10-16)31-27(34)21-15-18(12-11-17(21)2)20-5-3-8-24-26(20)32-28(35)33(24)23-7-4-6-22(29)25(23)30;1-17-9-11-20(12-10-17)32-25(34)22-15-19(16-31-18(22)2)21-7-5-8-23-24(21)28(3,4)26(35)33(23)27-29-13-6-14-30-27/h5-16H,1-4H3,(H,34,37);3-15H,1-2H3,(H,31,34)(H,32,35);5-16H,1-4H3,(H,32,34)
InChIKeyHNBWBTPYCSCJJN-UHFFFAOYSA-N
XLogP18.12
TPSA222.20 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001451.57
LogP ≤ 518.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 5-[1-(2,3-difluorophenyl)-2-oxo-3H-benzimidazol-4-yl]-2-methyl-N-(4-methylphenyl)benzamide;5-[3,3-dimethyl-1-(1-methylpyrazol-4-yl)-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide with MolForge

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Related Compounds

4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-(4-pyrazolo[1,5-a]pyrimidin-3-yltriazol-1-yl)benzamide
CID 71451816
3-(4-imidazo[1,2-a]pyrimidin-3-yltriazol-1-yl)-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
CID 71460798
4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[4-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)triazol-1-yl]benzamide
CID 71460801
N-[4-[[4-[4-[1-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]triazol-4-yl]butanoyl]piperazin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylbenzamide
CID 156013418
US11746110, Example 15
CID 146312064
US11746110, Example 5
CID 146312088
US20240025884, Example 427
CID 170672989
US20240025884, Example 407
CID 170673279
US20240025884, Example 428
CID 170715280
PROTAC BTK Degrader-9
CID 171037439
1-[4-[5-Carbamoyl-2-[[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]benzimidazol-1-yl]butyl]-2-[[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]benzimidazole-5-carboxamide
CID 165146901
(S)-7-(6-((3-oxo-7-(4,5,6,7-tetrahydropyra-zolo[1,5-a]pyridin-3-yl)isoindolin-4-yl)amino)pyri-din-3-yl)-2,7-diazaspiro[4.5] decan-1-one
CID 156163724

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,3-difluorophenyl)-2-oxo-3H-benzimidazol-4-yl]-2-methyl-N-(4-methylphenyl)benzamide;5-[3,3-dimethyl-1-(1-methylpyrazol-4-yl)-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-[1-(2,3-difluorophenyl)-2-oxo-3H-benzimidazol-4-yl]-2-methyl-N-(4-methylphenyl)benzamide;5-[3,3-dimethyl-1-(1-methylpyrazol-4-yl)-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide (CID 158528583) is 5-[1-(2,3-difluorophenyl)-2-oxo-3H-benzimidazol-4-yl]-2-methyl-N-(4-methylphenyl)benzamide;5-[3,3-dimethyl-1-(1-methylpyrazol-4-yl)-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-[1-(2,3-difluorophenyl)-2-oxo-3H-benzimidazol-4-yl]-2-methyl-N-(4-methylphenyl)benzamide;5-[3,3-dimethyl-1-(1-methylpyrazol-4-yl)-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-[1-(2,3-difluorophenyl)-2-oxo-3H-benzimidazol-4-yl]-2-methyl-N-(4-methylphenyl)benzamide;5-[3,3-dimethyl-1-(1-methylpyrazol-4-yl)-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide is Cc1ccc(NC(=O)c2cc(-c3cccc4c3C(C)(C)C(=O)N4c3cnn(C)c3)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccc4c3C(C)(C)C(=O)N4c3ncccn3)cnc2C)cc1.Cc1ccc(NC(=O)c2cc(-c3cccc4c3[nH]c(=O)n4-c3cccc(F)c3F)ccc2C)cc1.
What is the InChIKey of 5-[1-(2,3-difluorophenyl)-2-oxo-3H-benzimidazol-4-yl]-2-methyl-N-(4-methylphenyl)benzamide;5-[3,3-dimethyl-1-(1-methylpyrazol-4-yl)-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide?
The InChIKey is HNBWBTPYCSCJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25F3N4O2.C28H21F2N3O2.C28H25N5O2/c1-17-8-11-19(12-9-17)34-26(37)22-14-18(10-13-23(22)29(30,31)32)21-6-5-7-24-25(21)28(2,3)27(38)36(24)20-15-33-35(4)16-20;1-16-9-13-19(14-10-16)31-27(34)21-15-18(12-11-17(21)2)20-5-3-8-24-26(20)32-28(35)33(24)23-7-4-6-22(29)25(23)30;1-17-9-11-20(12-10-17)32-25(34)22-15-19(16-31-18(22)2)21-7-5-8-23-24(21)28(3,4)26(35)33(23)27-29-13-6-14-30-27/h5-16H,1-4H3,(H,34,37);3-15H,1-2H3,(H,31,34)(H,32,35);5-16H,1-4H3,(H,32,34).
What are the key properties of 5-[1-(2,3-difluorophenyl)-2-oxo-3H-benzimidazol-4-yl]-2-methyl-N-(4-methylphenyl)benzamide;5-[3,3-dimethyl-1-(1-methylpyrazol-4-yl)-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide?
5-[1-(2,3-difluorophenyl)-2-oxo-3H-benzimidazol-4-yl]-2-methyl-N-(4-methylphenyl)benzamide;5-[3,3-dimethyl-1-(1-methylpyrazol-4-yl)-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide has a molecular weight of 1451.57 g/mol, XLogP of 18.12, 12 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,3-difluorophenyl)-2-oxo-3H-benzimidazol-4-yl]-2-methyl-N-(4-methylphenyl)benzamide;5-[3,3-dimethyl-1-(1-methylpyrazol-4-yl)-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 158528583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).