4-bromo-6-(fluoromethyl)-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-1H-benzimidazole

C19H11BrF4N4 — CID 71038475

IUPAC4-bromo-6-(fluoromethyl)-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-1H-benzimidazole
SMILESFCc1cc(Br)c2nc(-c3ccc(-c4ncccc4C(F)(F)F)cn3)[nH]c2c1
InChIInChI=1S/C19H11BrF4N4/c20-13-6-10(8-21)7-15-17(13)28-18(27-15)14-4-3-11(9-26-14)16-12(19(22,23)24)2-1-5-25-16/h1-7,9H,8H2,(H,27,28)
InChIKeyZVVWXYFWBSKJSH-UHFFFAOYSA-N
MW451.22 g/mol
LogP5.94
Rot. Bonds3

About 4-bromo-6-(fluoromethyl)-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-1H-benzimidazole

4-bromo-6-(fluoromethyl)-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-1H-benzimidazole (PubChem CID 71038475) has the molecular formula C19H11BrF4N4 and a molecular weight of 451.22 g/mol. Its IUPAC name is 4-bromo-6-(fluoromethyl)-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-1H-benzimidazole.

Molecular Properties

Compound Name4-bromo-6-(fluoromethyl)-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-1H-benzimidazole
PubChem CID71038475
Molecular FormulaC19H11BrF4N4
Molecular Weight451.22 g/mol
Exact Mass450.01
IUPAC Name4-bromo-6-(fluoromethyl)-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-1H-benzimidazole
SMILESFCc1cc(Br)c2nc(-c3ccc(-c4ncccc4C(F)(F)F)cn3)[nH]c2c1
InChIInChI=1S/C19H11BrF4N4/c20-13-6-10(8-21)7-15-17(13)28-18(27-15)14-4-3-11(9-26-14)16-12(19(22,23)24)2-1-5-25-16/h1-7,9H,8H2,(H,27,28)
InChIKeyZVVWXYFWBSKJSH-UHFFFAOYSA-N
XLogP5.94
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.22
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-(fluoromethyl)-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-1H-benzimidazole?
The IUPAC name of 4-bromo-6-(fluoromethyl)-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-1H-benzimidazole (CID 71038475) is 4-bromo-6-(fluoromethyl)-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-1H-benzimidazole.
What is the SMILES notation for 4-bromo-6-(fluoromethyl)-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-1H-benzimidazole?
The canonical SMILES for 4-bromo-6-(fluoromethyl)-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-1H-benzimidazole is FCc1cc(Br)c2nc(-c3ccc(-c4ncccc4C(F)(F)F)cn3)[nH]c2c1.
What is the InChIKey of 4-bromo-6-(fluoromethyl)-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-1H-benzimidazole?
The InChIKey is ZVVWXYFWBSKJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11BrF4N4/c20-13-6-10(8-21)7-15-17(13)28-18(27-15)14-4-3-11(9-26-14)16-12(19(22,23)24)2-1-5-25-16/h1-7,9H,8H2,(H,27,28).
What are the key properties of 4-bromo-6-(fluoromethyl)-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-1H-benzimidazole?
4-bromo-6-(fluoromethyl)-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-1H-benzimidazole has a molecular weight of 451.22 g/mol, XLogP of 5.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-(fluoromethyl)-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-1H-benzimidazole is sourced from PubChem (CID 71038475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).