5-bromo-4-(trifluoromethyl)-1H-benzimidazole

C8H4BrF3N2 — CID 122200653

IUPAC5-bromo-4-(trifluoromethyl)-1H-benzimidazole
SMILESFC(F)(F)c1c(Br)ccc2[nH]cnc12
InChIInChI=1S/C8H4BrF3N2/c9-4-1-2-5-7(14-3-13-5)6(4)8(10,11)12/h1-3H,(H,13,14)
InChIKeyPDKYCTXNZGJSES-UHFFFAOYSA-N
MW265.03 g/mol
LogP3.34
Rot. Bonds

About 5-bromo-4-(trifluoromethyl)-1H-benzimidazole

5-bromo-4-(trifluoromethyl)-1H-benzimidazole (PubChem CID 122200653) has the molecular formula C8H4BrF3N2 and a molecular weight of 265.03 g/mol. Its IUPAC name is 5-bromo-4-(trifluoromethyl)-1H-benzimidazole.

Molecular Properties

Compound Name5-bromo-4-(trifluoromethyl)-1H-benzimidazole
PubChem CID122200653
Molecular FormulaC8H4BrF3N2
Molecular Weight265.03 g/mol
Exact Mass263.95
IUPAC Name5-bromo-4-(trifluoromethyl)-1H-benzimidazole
SMILESFC(F)(F)c1c(Br)ccc2[nH]cnc12
InChIInChI=1S/C8H4BrF3N2/c9-4-1-2-5-7(14-3-13-5)6(4)8(10,11)12/h1-3H,(H,13,14)
InChIKeyPDKYCTXNZGJSES-UHFFFAOYSA-N
XLogP3.34
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.03
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(trifluoromethyl)-1H-benzimidazole?
The IUPAC name of 5-bromo-4-(trifluoromethyl)-1H-benzimidazole (CID 122200653) is 5-bromo-4-(trifluoromethyl)-1H-benzimidazole.
What is the SMILES notation for 5-bromo-4-(trifluoromethyl)-1H-benzimidazole?
The canonical SMILES for 5-bromo-4-(trifluoromethyl)-1H-benzimidazole is FC(F)(F)c1c(Br)ccc2[nH]cnc12.
What is the InChIKey of 5-bromo-4-(trifluoromethyl)-1H-benzimidazole?
The InChIKey is PDKYCTXNZGJSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrF3N2/c9-4-1-2-5-7(14-3-13-5)6(4)8(10,11)12/h1-3H,(H,13,14).
What are the key properties of 5-bromo-4-(trifluoromethyl)-1H-benzimidazole?
5-bromo-4-(trifluoromethyl)-1H-benzimidazole has a molecular weight of 265.03 g/mol, XLogP of 3.34, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(trifluoromethyl)-1H-benzimidazole is sourced from PubChem (CID 122200653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).