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

C61H50F6N8O3 — CID 158120418

IUPAC3,3-dimethyl-4-[3-(6-methyl-1H-benzimidazol-2-yl)-4-(trifluoromethyl)phenyl]-1-pyridin-3-ylindol-2-one;methane;N-(4-methylphenyl)-5-(2'-oxo-1'-pyrimidin-2-ylspiro[cyclobutane-1,3'-indole]-4'-yl)-2-(trifluoromethyl)benzamide
SMILESC.Cc1ccc(NC(=O)c2cc(-c3cccc4c3C3(CCC3)C(=O)N4c3ncccn3)ccc2C(F)(F)F)cc1.Cc1ccc2nc(-c3cc(-c4cccc5c4C(C)(C)C(=O)N5c4cccnc4)ccc3C(F)(F)F)[nH]c2c1
InChIInChI=1S/C30H23F3N4O2.C30H23F3N4O.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;/h2,4-12,15-17H,3,13-14H2,1H3,(H,36,38);4-16H,1-3H3,(H,35,36);1H4
InChIKeyFRNPYLXZOWIKGA-UHFFFAOYSA-N
MW1057.11 g/mol
LogP15.03
Rot. Bonds7

About 3,3-dimethyl-4-[3-(6-methyl-1H-benzimidazol-2-yl)-4-(trifluoromethyl)phenyl]-1-pyridin-3-ylindol-2-one;methane;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;methane;N-(4-methylphenyl)-5-(2'-oxo-1'-pyrimidin-2-ylspiro[cyclobutane-1,3'-indole]-4'-yl)-2-(trifluoromethyl)benzamide (PubChem CID 158120418) has the molecular formula C61H50F6N8O3 and a molecular weight of 1057.11 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;methane;N-(4-methylphenyl)-5-(2'-oxo-1'-pyrimidin-2-ylspiro[cyclobutane-1,3'-indole]-4'-yl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3,3-dimethyl-4-[3-(6-methyl-1H-benzimidazol-2-yl)-4-(trifluoromethyl)phenyl]-1-pyridin-3-ylindol-2-one;methane;N-(4-methylphenyl)-5-(2'-oxo-1'-pyrimidin-2-ylspiro[cyclobutane-1,3'-indole]-4'-yl)-2-(trifluoromethyl)benzamide
PubChem CID158120418
Molecular FormulaC61H50F6N8O3
Molecular Weight1057.11 g/mol
Exact Mass1056.39
IUPAC Name3,3-dimethyl-4-[3-(6-methyl-1H-benzimidazol-2-yl)-4-(trifluoromethyl)phenyl]-1-pyridin-3-ylindol-2-one;methane;N-(4-methylphenyl)-5-(2'-oxo-1'-pyrimidin-2-ylspiro[cyclobutane-1,3'-indole]-4'-yl)-2-(trifluoromethyl)benzamide
SMILESC.Cc1ccc(NC(=O)c2cc(-c3cccc4c3C3(CCC3)C(=O)N4c3ncccn3)ccc2C(F)(F)F)cc1.Cc1ccc2nc(-c3cc(-c4cccc5c4C(C)(C)C(=O)N5c4cccnc4)ccc3C(F)(F)F)[nH]c2c1
InChIInChI=1S/C30H23F3N4O2.C30H23F3N4O.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;/h2,4-12,15-17H,3,13-14H2,1H3,(H,36,38);4-16H,1-3H3,(H,35,36);1H4
InChIKeyFRNPYLXZOWIKGA-UHFFFAOYSA-N
XLogP15.03
TPSA137.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001057.11
LogP ≤ 515.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[2-(1H-imidazo[4,5-b]pyridin-6-yl)ethynyl]-4-methylbenzamide
CID 49797926
4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]benzamide
CID 71460802
3,5,13,23-Tetrazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaene-12,14-dione
CID 10359002
N-(3-(1-(6-aminopyrimidin-4-yl)-1H-benzo[d]imidazol-2-ylamino)-4-methylphenyl)-3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)benzamide
CID 15949048
(E)-N-(4-Methyl-3-(2-(6-(pyrid-3-yl-amino)-9H-purin-9-yl)vinyl)phenyl)-3-(trifluoromethyl)-benzamide
CID 44222110
4-methyl-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]-N-[4-(trifluoromethyl)phenyl]benzamide
CID 73331184
US11071730, Example 173
CID 146640004
US11071730, Example 33
CID 146640080
US11071730, Example 29
CID 146640210
US11203591, Example 74
CID 146763317
US11203591, Example 177
CID 147060131
US11203591, Example 21B
CID 147224685

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;methane;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;methane;N-(4-methylphenyl)-5-(2'-oxo-1'-pyrimidin-2-ylspiro[cyclobutane-1,3'-indole]-4'-yl)-2-(trifluoromethyl)benzamide (CID 158120418) is 3,3-dimethyl-4-[3-(6-methyl-1H-benzimidazol-2-yl)-4-(trifluoromethyl)phenyl]-1-pyridin-3-ylindol-2-one;methane;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;methane;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;methane;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(-c3cccc4c3C3(CCC3)C(=O)N4c3ncccn3)ccc2C(F)(F)F)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;methane;N-(4-methylphenyl)-5-(2'-oxo-1'-pyrimidin-2-ylspiro[cyclobutane-1,3'-indole]-4'-yl)-2-(trifluoromethyl)benzamide?
The InChIKey is FRNPYLXZOWIKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23F3N4O2.C30H23F3N4O.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;/h2,4-12,15-17H,3,13-14H2,1H3,(H,36,38);4-16H,1-3H3,(H,35,36);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;methane;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;methane;N-(4-methylphenyl)-5-(2'-oxo-1'-pyrimidin-2-ylspiro[cyclobutane-1,3'-indole]-4'-yl)-2-(trifluoromethyl)benzamide has a molecular weight of 1057.11 g/mol, XLogP of 15.03, 7 rotatable bonds, 2 hydrogen bond donors, and 7 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;methane;N-(4-methylphenyl)-5-(2'-oxo-1'-pyrimidin-2-ylspiro[cyclobutane-1,3'-indole]-4'-yl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 158120418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).