N-[2-[6-(trifluoromethyl)-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]acetamide;1-[2-[6-(trifluoromethyl)-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]ethanone;[2-[6-(trifluoromethyl)-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]methanol

C74H49F18N7O3 — CID 159379557

IUPACN-[2-[6-(trifluoromethyl)-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]acetamide;1-[2-[6-(trifluoromethyl)-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]ethanone;[2-[6-(trifluoromethyl)-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]methanol
SMILESCC(=O)Nc1ccccc1-c1cc2nc(/C=C/c3ccc(C(F)(F)F)cc3)[nH]c2cc1C(F)(F)F.CC(=O)c1ccccc1-c1cc2nc(/C=C/c3ccc(C(F)(F)F)cc3)[nH]c2cc1C(F)(F)F.OCc1ccccc1-c1cc2nc(/C=C/c3ccc(C(F)(F)F)cc3)[nH]c2cc1C(F)(F)F
InChIInChI=1S/C25H17F6N3O.C25H16F6N2O.C24H16F6N2O/c1-14(35)32-20-5-3-2-4-17(20)18-12-21-22(13-19(18)25(29,30)31)34-23(33-21)11-8-15-6-9-16(10-7-15)24(26,27)28;1-14(34)17-4-2-3-5-18(17)19-12-21-22(13-20(19)25(29,30)31)33-23(32-21)11-8-15-6-9-16(10-7-15)24(26,27)28;25-23(26,27)16-8-5-14(6-9-16)7-10-22-31-20-11-18(17-4-2-1-3-15(17)13-33)19(24(28,29)30)12-21(20)32-22/h2-13H,1H3,(H,32,35)(H,33,34);2-13H,1H3,(H,32,33);1-12,33H,13H2,(H,31,32)/b2*11-8+;10-7+
InChIKeyLKSROFAMVQJTDA-IECPUGLCSA-N
MW1426.22 g/mol
LogP21.97
Rot. Bonds12

About N-[2-[6-(trifluoromethyl)-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]acetamide;1-[2-[6-(trifluoromethyl)-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]ethanone;[2-[6-(trifluoromethyl)-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]methanol

N-[2-[6-(trifluoromethyl)-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]acetamide;1-[2-[6-(trifluoromethyl)-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]ethanone;[2-[6-(trifluoromethyl)-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]methanol (PubChem CID 159379557) has the molecular formula C74H49F18N7O3 and a molecular weight of 1426.22 g/mol. Its IUPAC name is N-[2-[6-(trifluoromethyl)-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]acetamide;1-[2-[6-(trifluoromethyl)-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]ethanone;[2-[6-(trifluoromethyl)-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]methanol.

Molecular Properties

Compound NameN-[2-[6-(trifluoromethyl)-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]acetamide;1-[2-[6-(trifluoromethyl)-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]ethanone;[2-[6-(trifluoromethyl)-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]methanol
PubChem CID159379557
Molecular FormulaC74H49F18N7O3
Molecular Weight1426.22 g/mol
Exact Mass1425.36
IUPAC NameN-[2-[6-(trifluoromethyl)-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]acetamide;1-[2-[6-(trifluoromethyl)-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]ethanone;[2-[6-(trifluoromethyl)-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]methanol
SMILESCC(=O)Nc1ccccc1-c1cc2nc(/C=C/c3ccc(C(F)(F)F)cc3)[nH]c2cc1C(F)(F)F.CC(=O)c1ccccc1-c1cc2nc(/C=C/c3ccc(C(F)(F)F)cc3)[nH]c2cc1C(F)(F)F.OCc1ccccc1-c1cc2nc(/C=C/c3ccc(C(F)(F)F)cc3)[nH]c2cc1C(F)(F)F
InChIInChI=1S/C25H17F6N3O.C25H16F6N2O.C24H16F6N2O/c1-14(35)32-20-5-3-2-4-17(20)18-12-21-22(13-19(18)25(29,30)31)34-23(33-21)11-8-15-6-9-16(10-7-15)24(26,27)28;1-14(34)17-4-2-3-5-18(17)19-12-21-22(13-20(19)25(29,30)31)33-23(32-21)11-8-15-6-9-16(10-7-15)24(26,27)28;25-23(26,27)16-8-5-14(6-9-16)7-10-22-31-20-11-18(17-4-2-1-3-15(17)13-33)19(24(28,29)30)12-21(20)32-22/h2-13H,1H3,(H,32,35)(H,33,34);2-13H,1H3,(H,32,33);1-12,33H,13H2,(H,31,32)/b2*11-8+;10-7+
InChIKeyLKSROFAMVQJTDA-IECPUGLCSA-N
XLogP21.97
TPSA152.44 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001426.22
LogP ≤ 521.97
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze N-[2-[6-(trifluoromethyl)-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]acetamide;1-[2-[6-(trifluoromethyl)-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]ethanone;[2-[6-(trifluoromethyl)-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]methanol with MolForge

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Related Compounds

2-[4-[(4-ethylphenyl)-hydroxymethyl]phenyl]-3H-benzimidazole-5-carboxamide
CID 11152936
2-{4-[(3,4-dimethyl-phenyl)-hydroxy-methyl]-phenyl}-1H-benzoimidazole-5-carboxylic acid amide
CID 11187876
2-[4-(Hydroxy-phenyl-methyl)-phenyl]-1H-benzoimidazole-5-carboxylic acid amide
CID 11371309
2-[4-[cyclohexyl(hydroxy)methyl]phenyl]-3H-benzimidazole-5-carboxamide
CID 11371513
2-[4-[hydroxy-(2-methylphenyl)methyl]phenyl]-3H-benzimidazole-5-carboxamide
CID 11439732
2-[4-[hydroxy(naphthalen-2-yl)methyl]phenyl]-3H-benzimidazole-5-carboxamide
CID 11474863
2-[4-[hydroxy-(4-methylphenyl)methyl]phenyl]-3H-benzimidazole-5-carboxamide
CID 11485109
N-[6-[2-(4-fluorophenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]propanamide
CID 67044825
N-[6-[2-(4-fluorophenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]butanamide
CID 67045327
US10508088, Example 36-15
CID 134459981
US10508088, Example 36-11
CID 134460000
6,6'-bis[2-(4-carboxyphenyl)-1H-benzimidazole]
CID 1211927

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-(trifluoromethyl)-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]acetamide;1-[2-[6-(trifluoromethyl)-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]ethanone;[2-[6-(trifluoromethyl)-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]methanol?
The IUPAC name of N-[2-[6-(trifluoromethyl)-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]acetamide;1-[2-[6-(trifluoromethyl)-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]ethanone;[2-[6-(trifluoromethyl)-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]methanol (CID 159379557) is N-[2-[6-(trifluoromethyl)-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]acetamide;1-[2-[6-(trifluoromethyl)-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]ethanone;[2-[6-(trifluoromethyl)-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]methanol.
What is the SMILES notation for N-[2-[6-(trifluoromethyl)-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]acetamide;1-[2-[6-(trifluoromethyl)-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]ethanone;[2-[6-(trifluoromethyl)-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]methanol?
The canonical SMILES for N-[2-[6-(trifluoromethyl)-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]acetamide;1-[2-[6-(trifluoromethyl)-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]ethanone;[2-[6-(trifluoromethyl)-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]methanol is CC(=O)Nc1ccccc1-c1cc2nc(/C=C/c3ccc(C(F)(F)F)cc3)[nH]c2cc1C(F)(F)F.CC(=O)c1ccccc1-c1cc2nc(/C=C/c3ccc(C(F)(F)F)cc3)[nH]c2cc1C(F)(F)F.OCc1ccccc1-c1cc2nc(/C=C/c3ccc(C(F)(F)F)cc3)[nH]c2cc1C(F)(F)F.
What is the InChIKey of N-[2-[6-(trifluoromethyl)-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]acetamide;1-[2-[6-(trifluoromethyl)-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]ethanone;[2-[6-(trifluoromethyl)-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]methanol?
The InChIKey is LKSROFAMVQJTDA-IECPUGLCSA-N. The full InChI is InChI=1S/C25H17F6N3O.C25H16F6N2O.C24H16F6N2O/c1-14(35)32-20-5-3-2-4-17(20)18-12-21-22(13-19(18)25(29,30)31)34-23(33-21)11-8-15-6-9-16(10-7-15)24(26,27)28;1-14(34)17-4-2-3-5-18(17)19-12-21-22(13-20(19)25(29,30)31)33-23(32-21)11-8-15-6-9-16(10-7-15)24(26,27)28;25-23(26,27)16-8-5-14(6-9-16)7-10-22-31-20-11-18(17-4-2-1-3-15(17)13-33)19(24(28,29)30)12-21(20)32-22/h2-13H,1H3,(H,32,35)(H,33,34);2-13H,1H3,(H,32,33);1-12,33H,13H2,(H,31,32)/b2*11-8+;10-7+.
What are the key properties of N-[2-[6-(trifluoromethyl)-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]acetamide;1-[2-[6-(trifluoromethyl)-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]ethanone;[2-[6-(trifluoromethyl)-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]methanol?
N-[2-[6-(trifluoromethyl)-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]acetamide;1-[2-[6-(trifluoromethyl)-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]ethanone;[2-[6-(trifluoromethyl)-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]methanol has a molecular weight of 1426.22 g/mol, XLogP of 21.97, 12 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-(trifluoromethyl)-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]acetamide;1-[2-[6-(trifluoromethyl)-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]ethanone;[2-[6-(trifluoromethyl)-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]methanol is sourced from PubChem (CID 159379557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).