6-bromo-2-[2-[4-(trifluoromethoxy)phenyl]ethenyl]-1H-benzimidazole

C16H10BrF3N2O — CID 67165368

IUPAC6-bromo-2-[2-[4-(trifluoromethoxy)phenyl]ethenyl]-1H-benzimidazole
SMILESFC(F)(F)Oc1ccc(C=Cc2nc3ccc(Br)cc3[nH]2)cc1
InChIInChI=1S/C16H10BrF3N2O/c17-11-4-7-13-14(9-11)22-15(21-13)8-3-10-1-5-12(6-2-10)23-16(18,19)20/h1-9H,(H,21,22)
InChIKeyBQIAGGUENVWNJE-UHFFFAOYSA-N
MW383.17 g/mol
LogP5.39
Rot. Bonds3

About 6-bromo-2-[2-[4-(trifluoromethoxy)phenyl]ethenyl]-1H-benzimidazole

6-bromo-2-[2-[4-(trifluoromethoxy)phenyl]ethenyl]-1H-benzimidazole (PubChem CID 67165368) has the molecular formula C16H10BrF3N2O and a molecular weight of 383.17 g/mol. Its IUPAC name is 6-bromo-2-[2-[4-(trifluoromethoxy)phenyl]ethenyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-bromo-2-[2-[4-(trifluoromethoxy)phenyl]ethenyl]-1H-benzimidazole
PubChem CID67165368
Molecular FormulaC16H10BrF3N2O
Molecular Weight383.17 g/mol
Exact Mass381.99
IUPAC Name6-bromo-2-[2-[4-(trifluoromethoxy)phenyl]ethenyl]-1H-benzimidazole
SMILESFC(F)(F)Oc1ccc(C=Cc2nc3ccc(Br)cc3[nH]2)cc1
InChIInChI=1S/C16H10BrF3N2O/c17-11-4-7-13-14(9-11)22-15(21-13)8-3-10-1-5-12(6-2-10)23-16(18,19)20/h1-9H,(H,21,22)
InChIKeyBQIAGGUENVWNJE-UHFFFAOYSA-N
XLogP5.39
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.17
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-2-[(E)-2-(4-methylphenyl)ethenyl]-1H-benzimidazole
CID 15422407
6-bromo-2-[(E)-2-phenylethenyl]-1H-benzimidazole;ethane
CID 91356602
(6-bromo-1H-benzimidazol-2-yl)-[4-(trifluoromethoxy)phenyl]methanol
CID 54673279
2-[2-[(E)-2-(4-bromophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[(E)-2-(3,5-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 158941017
1,4-bis[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzene
CID 23625072
2-bromo-6-(trifluoromethoxy)naphthalene
CID 57429270
2-bromo-7-(trifluoromethoxy)naphthalene
CID 57429269
6-bromo-2-[(Z)-2-chloroprop-1-enyl]-1H-benzimidazole
CID 59008040
4-[2-[6-[2-[2-[4-(dimethylamino)phenyl]ethenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]ethenyl]-N,N-dimethylaniline
CID 77336502
6-bromo-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-imidazo[4,5-b]pyridine
CID 12621816
6-bromo-2-[bromo(difluoro)methyl]-1H-benzimidazole
CID 119085035
2-[2-[2-[(E)-2-[4-(2,2-difluoropropoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol
CID 58381160

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[2-[4-(trifluoromethoxy)phenyl]ethenyl]-1H-benzimidazole?
The IUPAC name of 6-bromo-2-[2-[4-(trifluoromethoxy)phenyl]ethenyl]-1H-benzimidazole (CID 67165368) is 6-bromo-2-[2-[4-(trifluoromethoxy)phenyl]ethenyl]-1H-benzimidazole.
What is the SMILES notation for 6-bromo-2-[2-[4-(trifluoromethoxy)phenyl]ethenyl]-1H-benzimidazole?
The canonical SMILES for 6-bromo-2-[2-[4-(trifluoromethoxy)phenyl]ethenyl]-1H-benzimidazole is FC(F)(F)Oc1ccc(C=Cc2nc3ccc(Br)cc3[nH]2)cc1.
What is the InChIKey of 6-bromo-2-[2-[4-(trifluoromethoxy)phenyl]ethenyl]-1H-benzimidazole?
The InChIKey is BQIAGGUENVWNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrF3N2O/c17-11-4-7-13-14(9-11)22-15(21-13)8-3-10-1-5-12(6-2-10)23-16(18,19)20/h1-9H,(H,21,22).
What are the key properties of 6-bromo-2-[2-[4-(trifluoromethoxy)phenyl]ethenyl]-1H-benzimidazole?
6-bromo-2-[2-[4-(trifluoromethoxy)phenyl]ethenyl]-1H-benzimidazole has a molecular weight of 383.17 g/mol, XLogP of 5.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-[2-[4-(trifluoromethoxy)phenyl]ethenyl]-1H-benzimidazole is sourced from PubChem (CID 67165368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).