2-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenol;3-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenol;[2-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]methanol

C67H44F12N6O3 — CID 161373987

IUPAC2-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenol;3-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenol;[2-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]methanol
SMILESOCc1ccccc1-c1cc2nc(/C=C/c3ccc(C(F)(F)F)cc3)[nH]c2cc1F.Oc1cccc(-c2cc3nc(/C=C/c4ccc(C(F)(F)F)cc4)[nH]c3cc2F)c1.Oc1ccccc1-c1cc2nc(/C=C/c3ccc(C(F)(F)F)cc3)[nH]c2cc1F
InChIInChI=1S/C23H16F4N2O.2C22H14F4N2O/c24-19-12-21-20(11-18(19)17-4-2-1-3-15(17)13-30)28-22(29-21)10-7-14-5-8-16(9-6-14)23(25,26)27;23-18-12-20-19(11-17(18)14-2-1-3-16(29)10-14)27-21(28-20)9-6-13-4-7-15(8-5-13)22(24,25)26;23-17-12-19-18(11-16(17)15-3-1-2-4-20(15)29)27-21(28-19)10-7-13-5-8-14(9-6-13)22(24,25)26/h1-12,30H,13H2,(H,28,29);2*1-12,29H,(H,27,28)/b10-7+;9-6+;10-7+
InChIKeyVQVKMJNDPLTHSP-LTJGADRISA-N
MW1209.10 g/mol
LogP18.58
Rot. Bonds10

About 2-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenol;3-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenol;[2-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]methanol

2-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenol;3-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenol;[2-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]methanol (PubChem CID 161373987) has the molecular formula C67H44F12N6O3 and a molecular weight of 1209.10 g/mol. Its IUPAC name is 2-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenol;3-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenol;[2-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]methanol.

Molecular Properties

Compound Name2-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenol;3-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenol;[2-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]methanol
PubChem CID161373987
Molecular FormulaC67H44F12N6O3
Molecular Weight1209.10 g/mol
Exact Mass1208.33
IUPAC Name2-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenol;3-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenol;[2-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]methanol
SMILESOCc1ccccc1-c1cc2nc(/C=C/c3ccc(C(F)(F)F)cc3)[nH]c2cc1F.Oc1cccc(-c2cc3nc(/C=C/c4ccc(C(F)(F)F)cc4)[nH]c3cc2F)c1.Oc1ccccc1-c1cc2nc(/C=C/c3ccc(C(F)(F)F)cc3)[nH]c2cc1F
InChIInChI=1S/C23H16F4N2O.2C22H14F4N2O/c24-19-12-21-20(11-18(19)17-4-2-1-3-15(17)13-30)28-22(29-21)10-7-14-5-8-16(9-6-14)23(25,26)27;23-18-12-20-19(11-17(18)14-2-1-3-16(29)10-14)27-21(28-20)9-6-13-4-7-15(8-5-13)22(24,25)26;23-17-12-19-18(11-16(17)15-3-1-2-4-20(15)29)27-21(28-19)10-7-13-5-8-14(9-6-13)22(24,25)26/h1-12,30H,13H2,(H,28,29);2*1-12,29H,(H,27,28)/b10-7+;9-6+;10-7+
InChIKeyVQVKMJNDPLTHSP-LTJGADRISA-N
XLogP18.58
TPSA146.73 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001209.10
LogP ≤ 518.58
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze 2-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenol;3-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenol;[2-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]methanol with MolForge

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Related Compounds

Phenol, 4,4'-[5,5'-bi-1H-benzimidazole]-2,2'-diylbis-
CID 449494
2-[[4-[5-[2-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]phenyl]iminomethyl]phenol
CID 135971383
2-(4'-Carbamimidoyl-2'-Hydroxybiphenyl-4-Yl)-1h-Benzimidazole-5-Carboximidamide
CID 135487528
6-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]naphthalen-1-ol
CID 11537466
2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenol
CID 24759037
2-[2-[2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenol
CID 59007952
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
3-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenol
CID 59008129
2-[6-fluoro-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenol
CID 67163730
3-[6-fluoro-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenol
CID 67165338

Frequently Asked Questions

What is the IUPAC name of 2-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenol;3-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenol;[2-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]methanol?
The IUPAC name of 2-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenol;3-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenol;[2-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]methanol (CID 161373987) is 2-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenol;3-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenol;[2-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]methanol.
What is the SMILES notation for 2-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenol;3-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenol;[2-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]methanol?
The canonical SMILES for 2-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenol;3-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenol;[2-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]methanol is OCc1ccccc1-c1cc2nc(/C=C/c3ccc(C(F)(F)F)cc3)[nH]c2cc1F.Oc1cccc(-c2cc3nc(/C=C/c4ccc(C(F)(F)F)cc4)[nH]c3cc2F)c1.Oc1ccccc1-c1cc2nc(/C=C/c3ccc(C(F)(F)F)cc3)[nH]c2cc1F.
What is the InChIKey of 2-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenol;3-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenol;[2-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]methanol?
The InChIKey is VQVKMJNDPLTHSP-LTJGADRISA-N. The full InChI is InChI=1S/C23H16F4N2O.2C22H14F4N2O/c24-19-12-21-20(11-18(19)17-4-2-1-3-15(17)13-30)28-22(29-21)10-7-14-5-8-16(9-6-14)23(25,26)27;23-18-12-20-19(11-17(18)14-2-1-3-16(29)10-14)27-21(28-20)9-6-13-4-7-15(8-5-13)22(24,25)26;23-17-12-19-18(11-16(17)15-3-1-2-4-20(15)29)27-21(28-19)10-7-13-5-8-14(9-6-13)22(24,25)26/h1-12,30H,13H2,(H,28,29);2*1-12,29H,(H,27,28)/b10-7+;9-6+;10-7+.
What are the key properties of 2-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenol;3-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenol;[2-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]methanol?
2-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenol;3-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenol;[2-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]methanol has a molecular weight of 1209.10 g/mol, XLogP of 18.58, 10 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenol;3-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenol;[2-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]methanol is sourced from PubChem (CID 161373987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).