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

2-(4-methoxyphenyl)-1H-1,3-benzodiazole
CID 345686
2-(2-methoxyphenyl)-1H-benzimidazole
CID 759420
2-Propen-1-one, 1-(1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)-
CID 5469980
2-[(4-methylphenoxy)methyl]-1H-benzimidazole
CID 699923
2-[(4-phenoxyphenyl)methyl]-1H-benzimidazole
CID 9817808
2-(4-(4-Carbamimidoylphenoxy)phenyl)-1H-benzo[D]imidazole-6-carboximidamide
CID 456167
2-[(4-bromophenoxy)methyl]-1H-benzimidazole
CID 2433260
2-(4-Methoxyphenyl)-5-(trifluoromethyl)-1H-benzimidazole
CID 14145040
2-(3-methoxyphenyl)-1H-1,3-benzodiazole
CID 794634
2-(1H-Benzimidazol-2-YL)-3-(4-methoxyphenyl)acrylonitrile
CID 5286524
2-(4-butoxyphenyl)-1H-benzimidazole
CID 5176717
1-(4-(1H-benzo[d]imidazol-2-yl)phenyl)-3-(3-bromo-4-methoxyphenyl)urea
CID 11305158

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).