5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)benzamide;4-[3-(6-fluoro-1H-benzimidazol-2-yl)-4-(trifluoromethyl)phenyl]-3,3-dimethyl-1-pyridin-3-ylindol-2-one;methane;N-(4-methylphenyl)-5-(2-oxo-1-pyrimidin-2-yl-3H-benzimidazol-4-yl)-2-(trifluoromethyl)benzamide

C85H64F11N13O5 — CID 161356052

IUPAC5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)benzamide;4-[3-(6-fluoro-1H-benzimidazol-2-yl)-4-(trifluoromethyl)phenyl]-3,3-dimethyl-1-pyridin-3-ylindol-2-one;methane;N-(4-methylphenyl)-5-(2-oxo-1-pyrimidin-2-yl-3H-benzimidazol-4-yl)-2-(trifluoromethyl)benzamide
SMILESC.CC1(C)C(=O)N(c2cccnc2)c2cccc(-c3ccc(C(F)(F)F)c(-c4nc5ccc(F)cc5[nH]4)c3)c21.Cc1ccc(NC(=O)c2cc(-c3cccc4c3C(C)(C)C(=O)N4c3ncccn3)ccc2C(F)(F)F)cc1F.Cc1ccc(NC(=O)c2cc(-c3cccc4c3[nH]c(=O)n4-c3ncccn3)ccc2C(F)(F)F)cc1
InChIInChI=1S/C29H22F4N4O2.C29H20F4N4O.C26H18F3N5O2.CH4/c1-16-8-10-18(15-22(16)30)36-25(38)20-14-17(9-11-21(20)29(31,32)33)19-6-4-7-23-24(19)28(2,3)26(39)37(23)27-34-12-5-13-35-27;1-28(2)25-19(6-3-7-24(25)37(27(28)38)18-5-4-12-34-15-18)16-8-10-21(29(31,32)33)20(13-16)26-35-22-11-9-17(30)14-23(22)36-26;1-15-6-9-17(10-7-15)32-23(35)19-14-16(8-11-20(19)26(27,28)29)18-4-2-5-21-22(18)33-25(36)34(21)24-30-12-3-13-31-24;/h4-15H,1-3H3,(H,36,38);3-15H,1-2H3,(H,35,36);2-14H,1H3,(H,32,35)(H,33,36);1H4
InChIKeyVOOFDLCPODTCSP-UHFFFAOYSA-N
MW1556.51 g/mol
LogP20.22
Rot. Bonds11

About 5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)benzamide;4-[3-(6-fluoro-1H-benzimidazol-2-yl)-4-(trifluoromethyl)phenyl]-3,3-dimethyl-1-pyridin-3-ylindol-2-one;methane;N-(4-methylphenyl)-5-(2-oxo-1-pyrimidin-2-yl-3H-benzimidazol-4-yl)-2-(trifluoromethyl)benzamide

5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)benzamide;4-[3-(6-fluoro-1H-benzimidazol-2-yl)-4-(trifluoromethyl)phenyl]-3,3-dimethyl-1-pyridin-3-ylindol-2-one;methane;N-(4-methylphenyl)-5-(2-oxo-1-pyrimidin-2-yl-3H-benzimidazol-4-yl)-2-(trifluoromethyl)benzamide (PubChem CID 161356052) has the molecular formula C85H64F11N13O5 and a molecular weight of 1556.51 g/mol. Its IUPAC name is 5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)benzamide;4-[3-(6-fluoro-1H-benzimidazol-2-yl)-4-(trifluoromethyl)phenyl]-3,3-dimethyl-1-pyridin-3-ylindol-2-one;methane;N-(4-methylphenyl)-5-(2-oxo-1-pyrimidin-2-yl-3H-benzimidazol-4-yl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)benzamide;4-[3-(6-fluoro-1H-benzimidazol-2-yl)-4-(trifluoromethyl)phenyl]-3,3-dimethyl-1-pyridin-3-ylindol-2-one;methane;N-(4-methylphenyl)-5-(2-oxo-1-pyrimidin-2-yl-3H-benzimidazol-4-yl)-2-(trifluoromethyl)benzamide
PubChem CID161356052
Molecular FormulaC85H64F11N13O5
Molecular Weight1556.51 g/mol
Exact Mass1555.50
IUPAC Name5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)benzamide;4-[3-(6-fluoro-1H-benzimidazol-2-yl)-4-(trifluoromethyl)phenyl]-3,3-dimethyl-1-pyridin-3-ylindol-2-one;methane;N-(4-methylphenyl)-5-(2-oxo-1-pyrimidin-2-yl-3H-benzimidazol-4-yl)-2-(trifluoromethyl)benzamide
SMILESC.CC1(C)C(=O)N(c2cccnc2)c2cccc(-c3ccc(C(F)(F)F)c(-c4nc5ccc(F)cc5[nH]4)c3)c21.Cc1ccc(NC(=O)c2cc(-c3cccc4c3C(C)(C)C(=O)N4c3ncccn3)ccc2C(F)(F)F)cc1F.Cc1ccc(NC(=O)c2cc(-c3cccc4c3[nH]c(=O)n4-c3ncccn3)ccc2C(F)(F)F)cc1
InChIInChI=1S/C29H22F4N4O2.C29H20F4N4O.C26H18F3N5O2.CH4/c1-16-8-10-18(15-22(16)30)36-25(38)20-14-17(9-11-21(20)29(31,32)33)19-6-4-7-23-24(19)28(2,3)26(39)37(23)27-34-12-5-13-35-27;1-28(2)25-19(6-3-7-24(25)37(27(28)38)18-5-4-12-34-15-18)16-8-10-21(29(31,32)33)20(13-16)26-35-22-11-9-17(30)14-23(22)36-26;1-15-6-9-17(10-7-15)32-23(35)19-14-16(8-11-20(19)26(27,28)29)18-4-2-5-21-22(18)33-25(36)34(21)24-30-12-3-13-31-24;/h4-15H,1-3H3,(H,36,38);3-15H,1-2H3,(H,35,36);2-14H,1H3,(H,32,35)(H,33,36);1H4
InChIKeyVOOFDLCPODTCSP-UHFFFAOYSA-N
XLogP20.22
TPSA229.74 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001556.51
LogP ≤ 520.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)benzamide;4-[3-(6-fluoro-1H-benzimidazol-2-yl)-4-(trifluoromethyl)phenyl]-3,3-dimethyl-1-pyridin-3-ylindol-2-one;methane;N-(4-methylphenyl)-5-(2-oxo-1-pyrimidin-2-yl-3H-benzimidazol-4-yl)-2-(trifluoromethyl)benzamide with MolForge

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Related Compounds

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CID 147470122
US11203591, Example 91
CID 148340992
US11203591, Example 54
CID 148476915
US11203591, Example 60
CID 148482280
US11203591, Example 76
CID 148851829
US11203591, Example 75
CID 149467264
US11203591, Example 53
CID 152876274
US11203591, Example 268
CID 152954220
US11203591, Example 87
CID 153203193
US11203591, Example 88
CID 153203194
US11203591, Example 95
CID 153244667

Frequently Asked Questions

What is the IUPAC name of 5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)benzamide;4-[3-(6-fluoro-1H-benzimidazol-2-yl)-4-(trifluoromethyl)phenyl]-3,3-dimethyl-1-pyridin-3-ylindol-2-one;methane;N-(4-methylphenyl)-5-(2-oxo-1-pyrimidin-2-yl-3H-benzimidazol-4-yl)-2-(trifluoromethyl)benzamide?
The IUPAC name of 5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)benzamide;4-[3-(6-fluoro-1H-benzimidazol-2-yl)-4-(trifluoromethyl)phenyl]-3,3-dimethyl-1-pyridin-3-ylindol-2-one;methane;N-(4-methylphenyl)-5-(2-oxo-1-pyrimidin-2-yl-3H-benzimidazol-4-yl)-2-(trifluoromethyl)benzamide (CID 161356052) is 5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)benzamide;4-[3-(6-fluoro-1H-benzimidazol-2-yl)-4-(trifluoromethyl)phenyl]-3,3-dimethyl-1-pyridin-3-ylindol-2-one;methane;N-(4-methylphenyl)-5-(2-oxo-1-pyrimidin-2-yl-3H-benzimidazol-4-yl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)benzamide;4-[3-(6-fluoro-1H-benzimidazol-2-yl)-4-(trifluoromethyl)phenyl]-3,3-dimethyl-1-pyridin-3-ylindol-2-one;methane;N-(4-methylphenyl)-5-(2-oxo-1-pyrimidin-2-yl-3H-benzimidazol-4-yl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for 5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)benzamide;4-[3-(6-fluoro-1H-benzimidazol-2-yl)-4-(trifluoromethyl)phenyl]-3,3-dimethyl-1-pyridin-3-ylindol-2-one;methane;N-(4-methylphenyl)-5-(2-oxo-1-pyrimidin-2-yl-3H-benzimidazol-4-yl)-2-(trifluoromethyl)benzamide is C.CC1(C)C(=O)N(c2cccnc2)c2cccc(-c3ccc(C(F)(F)F)c(-c4nc5ccc(F)cc5[nH]4)c3)c21.Cc1ccc(NC(=O)c2cc(-c3cccc4c3C(C)(C)C(=O)N4c3ncccn3)ccc2C(F)(F)F)cc1F.Cc1ccc(NC(=O)c2cc(-c3cccc4c3[nH]c(=O)n4-c3ncccn3)ccc2C(F)(F)F)cc1.
What is the InChIKey of 5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)benzamide;4-[3-(6-fluoro-1H-benzimidazol-2-yl)-4-(trifluoromethyl)phenyl]-3,3-dimethyl-1-pyridin-3-ylindol-2-one;methane;N-(4-methylphenyl)-5-(2-oxo-1-pyrimidin-2-yl-3H-benzimidazol-4-yl)-2-(trifluoromethyl)benzamide?
The InChIKey is VOOFDLCPODTCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22F4N4O2.C29H20F4N4O.C26H18F3N5O2.CH4/c1-16-8-10-18(15-22(16)30)36-25(38)20-14-17(9-11-21(20)29(31,32)33)19-6-4-7-23-24(19)28(2,3)26(39)37(23)27-34-12-5-13-35-27;1-28(2)25-19(6-3-7-24(25)37(27(28)38)18-5-4-12-34-15-18)16-8-10-21(29(31,32)33)20(13-16)26-35-22-11-9-17(30)14-23(22)36-26;1-15-6-9-17(10-7-15)32-23(35)19-14-16(8-11-20(19)26(27,28)29)18-4-2-5-21-22(18)33-25(36)34(21)24-30-12-3-13-31-24;/h4-15H,1-3H3,(H,36,38);3-15H,1-2H3,(H,35,36);2-14H,1H3,(H,32,35)(H,33,36);1H4.
What are the key properties of 5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)benzamide;4-[3-(6-fluoro-1H-benzimidazol-2-yl)-4-(trifluoromethyl)phenyl]-3,3-dimethyl-1-pyridin-3-ylindol-2-one;methane;N-(4-methylphenyl)-5-(2-oxo-1-pyrimidin-2-yl-3H-benzimidazol-4-yl)-2-(trifluoromethyl)benzamide?
5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)benzamide;4-[3-(6-fluoro-1H-benzimidazol-2-yl)-4-(trifluoromethyl)phenyl]-3,3-dimethyl-1-pyridin-3-ylindol-2-one;methane;N-(4-methylphenyl)-5-(2-oxo-1-pyrimidin-2-yl-3H-benzimidazol-4-yl)-2-(trifluoromethyl)benzamide has a molecular weight of 1556.51 g/mol, XLogP of 20.22, 11 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)benzamide;4-[3-(6-fluoro-1H-benzimidazol-2-yl)-4-(trifluoromethyl)phenyl]-3,3-dimethyl-1-pyridin-3-ylindol-2-one;methane;N-(4-methylphenyl)-5-(2-oxo-1-pyrimidin-2-yl-3H-benzimidazol-4-yl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 161356052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).