4-[2-(4-acetylphenyl)-1,1,1-trifluoropropan-2-yl]-N-[2-amino-4-[2-[3-amino-4-(methylamino)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]benzamide;2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-[1,1,1-trifluoro-2-(2-methyl-3H-benzimidazol-5-yl)propan-2-yl]-1H-benzimidazole

C68H57F15N8O2 — CID 157210758

IUPAC4-[2-(4-acetylphenyl)-1,1,1-trifluoropropan-2-yl]-N-[2-amino-4-[2-[3-amino-4-(methylamino)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]benzamide;2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-[1,1,1-trifluoro-2-(2-methyl-3H-benzimidazol-5-yl)propan-2-yl]-1H-benzimidazole
SMILESCNc1ccc(C(C)(c2ccc(NC(=O)c3ccc(C(C)(c4ccc(C(C)=O)cc4)C(F)(F)F)cc3)c(N)c2)C(F)(F)F)cc1N.Cc1ccc(C(c2ccc(-c3nc4ccc(C(C)(c5ccc6nc(C)[nH]c6c5)C(F)(F)F)cc4[nH]3)cc2)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C34H25F9N4.C34H32F6N4O2/c1-18-4-8-21(9-5-18)31(33(38,39)40,34(41,42)43)22-10-6-20(7-11-22)29-46-26-15-13-24(17-28(26)47-29)30(3,32(35,36)37)23-12-14-25-27(16-23)45-19(2)44-25;1-19(45)20-5-9-22(10-6-20)31(2,33(35,36)37)23-11-7-21(8-12-23)30(46)44-29-16-14-25(18-27(29)42)32(3,34(38,39)40)24-13-15-28(43-4)26(41)17-24/h4-17H,1-3H3,(H,44,45)(H,46,47);5-18,43H,41-42H2,1-4H3,(H,44,46)
InChIKeyARWFUVYKOYUWBH-UHFFFAOYSA-N
MW1303.23 g/mol
LogP18.09
Rot. Bonds13

About 4-[2-(4-acetylphenyl)-1,1,1-trifluoropropan-2-yl]-N-[2-amino-4-[2-[3-amino-4-(methylamino)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]benzamide;2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-[1,1,1-trifluoro-2-(2-methyl-3H-benzimidazol-5-yl)propan-2-yl]-1H-benzimidazole

4-[2-(4-acetylphenyl)-1,1,1-trifluoropropan-2-yl]-N-[2-amino-4-[2-[3-amino-4-(methylamino)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]benzamide;2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-[1,1,1-trifluoro-2-(2-methyl-3H-benzimidazol-5-yl)propan-2-yl]-1H-benzimidazole (PubChem CID 157210758) has the molecular formula C68H57F15N8O2 and a molecular weight of 1303.23 g/mol. Its IUPAC name is 4-[2-(4-acetylphenyl)-1,1,1-trifluoropropan-2-yl]-N-[2-amino-4-[2-[3-amino-4-(methylamino)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]benzamide;2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-[1,1,1-trifluoro-2-(2-methyl-3H-benzimidazol-5-yl)propan-2-yl]-1H-benzimidazole.

Molecular Properties

Compound Name4-[2-(4-acetylphenyl)-1,1,1-trifluoropropan-2-yl]-N-[2-amino-4-[2-[3-amino-4-(methylamino)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]benzamide;2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-[1,1,1-trifluoro-2-(2-methyl-3H-benzimidazol-5-yl)propan-2-yl]-1H-benzimidazole
PubChem CID157210758
Molecular FormulaC68H57F15N8O2
Molecular Weight1303.23 g/mol
Exact Mass1302.44
IUPAC Name4-[2-(4-acetylphenyl)-1,1,1-trifluoropropan-2-yl]-N-[2-amino-4-[2-[3-amino-4-(methylamino)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]benzamide;2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-[1,1,1-trifluoro-2-(2-methyl-3H-benzimidazol-5-yl)propan-2-yl]-1H-benzimidazole
SMILESCNc1ccc(C(C)(c2ccc(NC(=O)c3ccc(C(C)(c4ccc(C(C)=O)cc4)C(F)(F)F)cc3)c(N)c2)C(F)(F)F)cc1N.Cc1ccc(C(c2ccc(-c3nc4ccc(C(C)(c5ccc6nc(C)[nH]c6c5)C(F)(F)F)cc4[nH]3)cc2)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C34H25F9N4.C34H32F6N4O2/c1-18-4-8-21(9-5-18)31(33(38,39)40,34(41,42)43)22-10-6-20(7-11-22)29-46-26-15-13-24(17-28(26)47-29)30(3,32(35,36)37)23-12-14-25-27(16-23)45-19(2)44-25;1-19(45)20-5-9-22(10-6-20)31(2,33(35,36)37)23-11-7-21(8-12-23)30(46)44-29-16-14-25(18-27(29)42)32(3,34(38,39)40)24-13-15-28(43-4)26(41)17-24/h4-17H,1-3H3,(H,44,45)(H,46,47);5-18,43H,41-42H2,1-4H3,(H,44,46)
InChIKeyARWFUVYKOYUWBH-UHFFFAOYSA-N
XLogP18.09
TPSA167.60 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001303.23
LogP ≤ 518.09
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[2-(4-acetylphenyl)-1,1,1-trifluoropropan-2-yl]-N-[2-amino-4-[2-[3-amino-4-(methylamino)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]benzamide;2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-[1,1,1-trifluoro-2-(2-methyl-3H-benzimidazol-5-yl)propan-2-yl]-1H-benzimidazole with MolForge

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Related Compounds

1-N,4-N-bis[3-(1H-benzimidazol-2-yl)phenyl]benzene-1,4-dicarboxamide
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9-(4-{2-Isopropyl-4-[(4''-trifluoromethyl-biphenyl-2-carbonyl)-amino]-benzoimidazol-1-yl}-butyl)-9H-fluorene-9-carboxylic acid (2,2,2-trifluoro-ethyl)-amide
CID 10557113
2-[4-(adamantane-1-carbonylamino)phenyl]-N-(1-adamantyl)-3H-benzimidazole-5-carboxamide
CID 11226607
1-(2-Aza-bicyclo[2.2.2]oct-2-yl)-2-(2-(3,5-dimethyl-phenyl)-3-{(S)-1-methyl-2-[2-(2-trifluoromethyl-1H-benzoimidazol-5-yl)-ethylamino]-ethyl}-1H-indol-5-yl)-2-methyl-propan-1-one
CID 44380681
(S)-1-(2-(3,5-dimethylphenyl)-3-(1-(2-(2-methyl-1H-benzo[d]imidazol-5-yl)ethylamino)propan-2-yl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-5(4H)-yl)-2-(2-fluoro-6-(trifluoromethyl)phenyl)ethanone
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N-[3-(1H-benzimidazol-2-yl)phenyl]-4-[(2,2-dimethylpropanoyl)amino]benzamide
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2-(4-benzamidophenyl)-N-cyclohexyl-3H-benzimidazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-acetylphenyl)-1,1,1-trifluoropropan-2-yl]-N-[2-amino-4-[2-[3-amino-4-(methylamino)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]benzamide;2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-[1,1,1-trifluoro-2-(2-methyl-3H-benzimidazol-5-yl)propan-2-yl]-1H-benzimidazole?
The IUPAC name of 4-[2-(4-acetylphenyl)-1,1,1-trifluoropropan-2-yl]-N-[2-amino-4-[2-[3-amino-4-(methylamino)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]benzamide;2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-[1,1,1-trifluoro-2-(2-methyl-3H-benzimidazol-5-yl)propan-2-yl]-1H-benzimidazole (CID 157210758) is 4-[2-(4-acetylphenyl)-1,1,1-trifluoropropan-2-yl]-N-[2-amino-4-[2-[3-amino-4-(methylamino)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]benzamide;2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-[1,1,1-trifluoro-2-(2-methyl-3H-benzimidazol-5-yl)propan-2-yl]-1H-benzimidazole.
What is the SMILES notation for 4-[2-(4-acetylphenyl)-1,1,1-trifluoropropan-2-yl]-N-[2-amino-4-[2-[3-amino-4-(methylamino)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]benzamide;2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-[1,1,1-trifluoro-2-(2-methyl-3H-benzimidazol-5-yl)propan-2-yl]-1H-benzimidazole?
The canonical SMILES for 4-[2-(4-acetylphenyl)-1,1,1-trifluoropropan-2-yl]-N-[2-amino-4-[2-[3-amino-4-(methylamino)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]benzamide;2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-[1,1,1-trifluoro-2-(2-methyl-3H-benzimidazol-5-yl)propan-2-yl]-1H-benzimidazole is CNc1ccc(C(C)(c2ccc(NC(=O)c3ccc(C(C)(c4ccc(C(C)=O)cc4)C(F)(F)F)cc3)c(N)c2)C(F)(F)F)cc1N.Cc1ccc(C(c2ccc(-c3nc4ccc(C(C)(c5ccc6nc(C)[nH]c6c5)C(F)(F)F)cc4[nH]3)cc2)(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of 4-[2-(4-acetylphenyl)-1,1,1-trifluoropropan-2-yl]-N-[2-amino-4-[2-[3-amino-4-(methylamino)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]benzamide;2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-[1,1,1-trifluoro-2-(2-methyl-3H-benzimidazol-5-yl)propan-2-yl]-1H-benzimidazole?
The InChIKey is ARWFUVYKOYUWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H25F9N4.C34H32F6N4O2/c1-18-4-8-21(9-5-18)31(33(38,39)40,34(41,42)43)22-10-6-20(7-11-22)29-46-26-15-13-24(17-28(26)47-29)30(3,32(35,36)37)23-12-14-25-27(16-23)45-19(2)44-25;1-19(45)20-5-9-22(10-6-20)31(2,33(35,36)37)23-11-7-21(8-12-23)30(46)44-29-16-14-25(18-27(29)42)32(3,34(38,39)40)24-13-15-28(43-4)26(41)17-24/h4-17H,1-3H3,(H,44,45)(H,46,47);5-18,43H,41-42H2,1-4H3,(H,44,46).
What are the key properties of 4-[2-(4-acetylphenyl)-1,1,1-trifluoropropan-2-yl]-N-[2-amino-4-[2-[3-amino-4-(methylamino)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]benzamide;2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-[1,1,1-trifluoro-2-(2-methyl-3H-benzimidazol-5-yl)propan-2-yl]-1H-benzimidazole?
4-[2-(4-acetylphenyl)-1,1,1-trifluoropropan-2-yl]-N-[2-amino-4-[2-[3-amino-4-(methylamino)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]benzamide;2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-[1,1,1-trifluoro-2-(2-methyl-3H-benzimidazol-5-yl)propan-2-yl]-1H-benzimidazole has a molecular weight of 1303.23 g/mol, XLogP of 18.09, 13 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-acetylphenyl)-1,1,1-trifluoropropan-2-yl]-N-[2-amino-4-[2-[3-amino-4-(methylamino)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]benzamide;2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-[1,1,1-trifluoro-2-(2-methyl-3H-benzimidazol-5-yl)propan-2-yl]-1H-benzimidazole is sourced from PubChem (CID 157210758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).