2-[4-bromo-2,5-bis(trifluoromethyl)phenyl]-1H-benzimidazole

C15H7BrF6N2 — CID 168555452

IUPAC2-[4-bromo-2,5-bis(trifluoromethyl)phenyl]-1H-benzimidazole
SMILESFC(F)(F)c1cc(-c2nc3ccccc3[nH]2)c(C(F)(F)F)cc1Br
InChIInChI=1S/C15H7BrF6N2/c16-10-6-8(14(17,18)19)7(5-9(10)15(20,21)22)13-23-11-3-1-2-4-12(11)24-13/h1-6H,(H,23,24)
InChIKeyNKTKRBVYTUBOHM-UHFFFAOYSA-N
MW409.13 g/mol
LogP6.03
Rot. Bonds1

About 2-[4-bromo-2,5-bis(trifluoromethyl)phenyl]-1H-benzimidazole

2-[4-bromo-2,5-bis(trifluoromethyl)phenyl]-1H-benzimidazole (PubChem CID 168555452) has the molecular formula C15H7BrF6N2 and a molecular weight of 409.13 g/mol. Its IUPAC name is 2-[4-bromo-2,5-bis(trifluoromethyl)phenyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[4-bromo-2,5-bis(trifluoromethyl)phenyl]-1H-benzimidazole
PubChem CID168555452
Molecular FormulaC15H7BrF6N2
Molecular Weight409.13 g/mol
Exact Mass407.97
IUPAC Name2-[4-bromo-2,5-bis(trifluoromethyl)phenyl]-1H-benzimidazole
SMILESFC(F)(F)c1cc(-c2nc3ccccc3[nH]2)c(C(F)(F)F)cc1Br
InChIInChI=1S/C15H7BrF6N2/c16-10-6-8(14(17,18)19)7(5-9(10)15(20,21)22)13-23-11-3-1-2-4-12(11)24-13/h1-6H,(H,23,24)
InChIKeyNKTKRBVYTUBOHM-UHFFFAOYSA-N
XLogP6.03
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.13
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1H-benzimidazol-2-yl)-5-fluoro-4-(trifluoromethyl)phenol
CID 168555704
bis(2-(1H-benzimidazol-2-yl)-4,6-dibromophenolate);nickel(2+)
CID 139072906
2-[4-iodo-3-(trifluoromethyl)phenyl]-1H-benzimidazole
CID 168555765
4-(1H-benzimidazol-2-yl)-2,6-dibromobenzene-1,3-diol
CID 136781810
2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]-1H-benzimidazole
CID 168554182
5-bromo-2-(3-phenyl-1H-pyrazol-5-yl)-6-(trifluoromethyl)-1H-benzimidazole
CID 136929747
2-(2,5-difluorophenyl)-1H-benzimidazole
CID 43348986
2-(5-bromo-2-iodo-4-methoxyphenyl)-1H-benzimidazole
CID 168555811
2-phenanthren-9-yl-1H-benzimidazole
CID 102492769
2,6-bis(1H-benzimidazol-2-yl)-4-[3,5-bis(1H-benzimidazol-2-yl)-4-hydroxyphenyl]phenol
CID 139797671
2-(1-bromonaphthalen-2-yl)-1H-benzimidazole
CID 101479527
[2-(1H-benzimidazol-2-yl)-5-fluorophenyl]-trifluoroboranuide
CID 168555826

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2,5-bis(trifluoromethyl)phenyl]-1H-benzimidazole?
The IUPAC name of 2-[4-bromo-2,5-bis(trifluoromethyl)phenyl]-1H-benzimidazole (CID 168555452) is 2-[4-bromo-2,5-bis(trifluoromethyl)phenyl]-1H-benzimidazole.
What is the SMILES notation for 2-[4-bromo-2,5-bis(trifluoromethyl)phenyl]-1H-benzimidazole?
The canonical SMILES for 2-[4-bromo-2,5-bis(trifluoromethyl)phenyl]-1H-benzimidazole is FC(F)(F)c1cc(-c2nc3ccccc3[nH]2)c(C(F)(F)F)cc1Br.
What is the InChIKey of 2-[4-bromo-2,5-bis(trifluoromethyl)phenyl]-1H-benzimidazole?
The InChIKey is NKTKRBVYTUBOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7BrF6N2/c16-10-6-8(14(17,18)19)7(5-9(10)15(20,21)22)13-23-11-3-1-2-4-12(11)24-13/h1-6H,(H,23,24).
What are the key properties of 2-[4-bromo-2,5-bis(trifluoromethyl)phenyl]-1H-benzimidazole?
2-[4-bromo-2,5-bis(trifluoromethyl)phenyl]-1H-benzimidazole has a molecular weight of 409.13 g/mol, XLogP of 6.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-2,5-bis(trifluoromethyl)phenyl]-1H-benzimidazole is sourced from PubChem (CID 168555452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).