2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-6-(trifluoromethyl)-1H-benzimidazol-5-yl]phenol;3-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-6-(trifluoromethyl)-1H-benzimidazol-5-yl]phenol;N-[2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-6-(trifluoromethyl)-1H-benzimidazol-5-yl]phenyl]acetamide

C80H72F9N7O3 — CID 158005859

IUPAC2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-6-(trifluoromethyl)-1H-benzimidazol-5-yl]phenol;3-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-6-(trifluoromethyl)-1H-benzimidazol-5-yl]phenol;N-[2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-6-(trifluoromethyl)-1H-benzimidazol-5-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1-c1cc2nc(/C=C/c3ccc(C(C)(C)C)cc3)[nH]c2cc1C(F)(F)F.CC(C)(C)c1ccc(/C=C/c2nc3cc(-c4cccc(O)c4)c(C(F)(F)F)cc3[nH]2)cc1.CC(C)(C)c1ccc(/C=C/c2nc3cc(-c4ccccc4O)c(C(F)(F)F)cc3[nH]2)cc1
InChIInChI=1S/C28H26F3N3O.2C26H23F3N2O/c1-17(35)32-23-8-6-5-7-20(23)21-15-24-25(16-22(21)28(29,30)31)34-26(33-24)14-11-18-9-12-19(13-10-18)27(2,3)4;1-25(2,3)18-10-7-16(8-11-18)9-12-24-30-22-14-20(17-5-4-6-19(32)13-17)21(26(27,28)29)15-23(22)31-24;1-25(2,3)17-11-8-16(9-12-17)10-13-24-30-21-14-19(18-6-4-5-7-23(18)32)20(26(27,28)29)15-22(21)31-24/h5-16H,1-4H3,(H,32,35)(H,33,34);2*4-15,32H,1-3H3,(H,30,31)/b14-11+;12-9+;13-10+
InChIKeyFEGZZYYTEODAFU-MIWVRHGHSA-N
MW1350.48 g/mol
LogP22.52
Rot. Bonds10

About 2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-6-(trifluoromethyl)-1H-benzimidazol-5-yl]phenol;3-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-6-(trifluoromethyl)-1H-benzimidazol-5-yl]phenol;N-[2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-6-(trifluoromethyl)-1H-benzimidazol-5-yl]phenyl]acetamide

2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-6-(trifluoromethyl)-1H-benzimidazol-5-yl]phenol;3-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-6-(trifluoromethyl)-1H-benzimidazol-5-yl]phenol;N-[2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-6-(trifluoromethyl)-1H-benzimidazol-5-yl]phenyl]acetamide (PubChem CID 158005859) has the molecular formula C80H72F9N7O3 and a molecular weight of 1350.48 g/mol. Its IUPAC name is 2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-6-(trifluoromethyl)-1H-benzimidazol-5-yl]phenol;3-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-6-(trifluoromethyl)-1H-benzimidazol-5-yl]phenol;N-[2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-6-(trifluoromethyl)-1H-benzimidazol-5-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-6-(trifluoromethyl)-1H-benzimidazol-5-yl]phenol;3-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-6-(trifluoromethyl)-1H-benzimidazol-5-yl]phenol;N-[2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-6-(trifluoromethyl)-1H-benzimidazol-5-yl]phenyl]acetamide
PubChem CID158005859
Molecular FormulaC80H72F9N7O3
Molecular Weight1350.48 g/mol
Exact Mass1349.56
IUPAC Name2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-6-(trifluoromethyl)-1H-benzimidazol-5-yl]phenol;3-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-6-(trifluoromethyl)-1H-benzimidazol-5-yl]phenol;N-[2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-6-(trifluoromethyl)-1H-benzimidazol-5-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1-c1cc2nc(/C=C/c3ccc(C(C)(C)C)cc3)[nH]c2cc1C(F)(F)F.CC(C)(C)c1ccc(/C=C/c2nc3cc(-c4cccc(O)c4)c(C(F)(F)F)cc3[nH]2)cc1.CC(C)(C)c1ccc(/C=C/c2nc3cc(-c4ccccc4O)c(C(F)(F)F)cc3[nH]2)cc1
InChIInChI=1S/C28H26F3N3O.2C26H23F3N2O/c1-17(35)32-23-8-6-5-7-20(23)21-15-24-25(16-22(21)28(29,30)31)34-26(33-24)14-11-18-9-12-19(13-10-18)27(2,3)4;1-25(2,3)18-10-7-16(8-11-18)9-12-24-30-22-14-20(17-5-4-6-19(32)13-17)21(26(27,28)29)15-23(22)31-24;1-25(2,3)17-11-8-16(9-12-17)10-13-24-30-21-14-19(18-6-4-5-7-23(18)32)20(26(27,28)29)15-22(21)31-24/h5-16H,1-4H3,(H,32,35)(H,33,34);2*4-15,32H,1-3H3,(H,30,31)/b14-11+;12-9+;13-10+
InChIKeyFEGZZYYTEODAFU-MIWVRHGHSA-N
XLogP22.52
TPSA155.60 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001350.48
LogP ≤ 522.52
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze 2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-6-(trifluoromethyl)-1H-benzimidazol-5-yl]phenol;3-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-6-(trifluoromethyl)-1H-benzimidazol-5-yl]phenol;N-[2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-6-(trifluoromethyl)-1H-benzimidazol-5-yl]phenyl]acetamide with MolForge

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Related Compounds

2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenol
CID 24758811
2-[[4-[5-[2-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]phenyl]iminomethyl]phenol
CID 135971383
2-[2-[3-(4-tert-butylphenyl)propyl]-3H-benzimidazol-5-yl]phenol
CID 24759148
2-[2-[(4-tert-butylphenyl)methyl]-3H-benzimidazol-5-yl]phenol
CID 118737161
2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenol
CID 24759037
3-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-6-(trifluoromethyl)-1H-benzimidazol-5-yl]phenol
CID 59007993
2-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenol
CID 59008036
2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-6-(trifluoromethyl)-1H-benzimidazol-5-yl]phenol
CID 59008087
2-[6-fluoro-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenol
CID 67163730
2-[2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenol
CID 67165651
2-[2-[2-(4-tert-butylphenyl)ethenyl]-6-(trifluoromethyl)-1H-benzimidazol-5-yl]phenol
CID 67165729
3-[2-[2-(4-tert-butylphenyl)ethenyl]-6-(trifluoromethyl)-1H-benzimidazol-5-yl]phenol
CID 67165754

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-6-(trifluoromethyl)-1H-benzimidazol-5-yl]phenol;3-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-6-(trifluoromethyl)-1H-benzimidazol-5-yl]phenol;N-[2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-6-(trifluoromethyl)-1H-benzimidazol-5-yl]phenyl]acetamide?
The IUPAC name of 2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-6-(trifluoromethyl)-1H-benzimidazol-5-yl]phenol;3-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-6-(trifluoromethyl)-1H-benzimidazol-5-yl]phenol;N-[2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-6-(trifluoromethyl)-1H-benzimidazol-5-yl]phenyl]acetamide (CID 158005859) is 2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-6-(trifluoromethyl)-1H-benzimidazol-5-yl]phenol;3-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-6-(trifluoromethyl)-1H-benzimidazol-5-yl]phenol;N-[2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-6-(trifluoromethyl)-1H-benzimidazol-5-yl]phenyl]acetamide.
What is the SMILES notation for 2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-6-(trifluoromethyl)-1H-benzimidazol-5-yl]phenol;3-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-6-(trifluoromethyl)-1H-benzimidazol-5-yl]phenol;N-[2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-6-(trifluoromethyl)-1H-benzimidazol-5-yl]phenyl]acetamide?
The canonical SMILES for 2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-6-(trifluoromethyl)-1H-benzimidazol-5-yl]phenol;3-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-6-(trifluoromethyl)-1H-benzimidazol-5-yl]phenol;N-[2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-6-(trifluoromethyl)-1H-benzimidazol-5-yl]phenyl]acetamide is CC(=O)Nc1ccccc1-c1cc2nc(/C=C/c3ccc(C(C)(C)C)cc3)[nH]c2cc1C(F)(F)F.CC(C)(C)c1ccc(/C=C/c2nc3cc(-c4cccc(O)c4)c(C(F)(F)F)cc3[nH]2)cc1.CC(C)(C)c1ccc(/C=C/c2nc3cc(-c4ccccc4O)c(C(F)(F)F)cc3[nH]2)cc1.
What is the InChIKey of 2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-6-(trifluoromethyl)-1H-benzimidazol-5-yl]phenol;3-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-6-(trifluoromethyl)-1H-benzimidazol-5-yl]phenol;N-[2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-6-(trifluoromethyl)-1H-benzimidazol-5-yl]phenyl]acetamide?
The InChIKey is FEGZZYYTEODAFU-MIWVRHGHSA-N. The full InChI is InChI=1S/C28H26F3N3O.2C26H23F3N2O/c1-17(35)32-23-8-6-5-7-20(23)21-15-24-25(16-22(21)28(29,30)31)34-26(33-24)14-11-18-9-12-19(13-10-18)27(2,3)4;1-25(2,3)18-10-7-16(8-11-18)9-12-24-30-22-14-20(17-5-4-6-19(32)13-17)21(26(27,28)29)15-23(22)31-24;1-25(2,3)17-11-8-16(9-12-17)10-13-24-30-21-14-19(18-6-4-5-7-23(18)32)20(26(27,28)29)15-22(21)31-24/h5-16H,1-4H3,(H,32,35)(H,33,34);2*4-15,32H,1-3H3,(H,30,31)/b14-11+;12-9+;13-10+.
What are the key properties of 2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-6-(trifluoromethyl)-1H-benzimidazol-5-yl]phenol;3-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-6-(trifluoromethyl)-1H-benzimidazol-5-yl]phenol;N-[2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-6-(trifluoromethyl)-1H-benzimidazol-5-yl]phenyl]acetamide?
2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-6-(trifluoromethyl)-1H-benzimidazol-5-yl]phenol;3-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-6-(trifluoromethyl)-1H-benzimidazol-5-yl]phenol;N-[2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-6-(trifluoromethyl)-1H-benzimidazol-5-yl]phenyl]acetamide has a molecular weight of 1350.48 g/mol, XLogP of 22.52, 10 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-6-(trifluoromethyl)-1H-benzimidazol-5-yl]phenol;3-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-6-(trifluoromethyl)-1H-benzimidazol-5-yl]phenol;N-[2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-6-(trifluoromethyl)-1H-benzimidazol-5-yl]phenyl]acetamide is sourced from PubChem (CID 158005859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).