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

C13H7BrF3N3 — CID 114909112

IUPAC6-bromo-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole
SMILESFC(F)(F)c1ccc(-c2nc3ccc(Br)cc3[nH]2)nc1
InChIInChI=1S/C13H7BrF3N3/c14-8-2-4-9-11(5-8)20-12(19-9)10-3-1-7(6-18-10)13(15,16)17/h1-6H,(H,19,20)
InChIKeyYABCXGNHECKDCK-UHFFFAOYSA-N
MW342.12 g/mol
LogP4.41
Rot. Bonds1

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

6-bromo-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole (PubChem CID 114909112) has the molecular formula C13H7BrF3N3 and a molecular weight of 342.12 g/mol. Its IUPAC name is 6-bromo-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-bromo-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole
PubChem CID114909112
Molecular FormulaC13H7BrF3N3
Molecular Weight342.12 g/mol
Exact Mass340.98
IUPAC Name6-bromo-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole
SMILESFC(F)(F)c1ccc(-c2nc3ccc(Br)cc3[nH]2)nc1
InChIInChI=1S/C13H7BrF3N3/c14-8-2-4-9-11(5-8)20-12(19-9)10-3-1-7(6-18-10)13(15,16)17/h1-6H,(H,19,20)
InChIKeyYABCXGNHECKDCK-UHFFFAOYSA-N
XLogP4.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.12
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-bromo-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-ethyl-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole
CID 114909124
5,6-dichloro-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole
CID 114909125
6-bromo-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazol-4-amine
CID 114909040
2-[5-(trifluoromethyl)-2-pyridinyl]-3H-imidazo[4,5-c]pyridine
CID 114909106
6-(6-bromo-1H-benzimidazol-2-yl)pyridine-3-carbonitrile
CID 64725155
2-(5-bromo-2-pyridinyl)-6-methyl-1H-benzimidazole
CID 62958312
2-(5-bromo-2-pyridinyl)-3H-benzimidazole-5-carboxylic acid
CID 55153437
6-(trifluoromethyl)-2-[6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]-1H-benzimidazole
CID 86076167
8-[5-(trifluoromethyl)-2-pyridinyl]-7H-purine
CID 114909130
4,6-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole
CID 114909123
3-[4-(6-bromo-1H-benzimidazol-2-yl)phenyl]-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 118624443
6-bromo-2-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-benzimidazole
CID 64723741

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole?
The IUPAC name of 6-bromo-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole (CID 114909112) is 6-bromo-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole.
What is the SMILES notation for 6-bromo-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole?
The canonical SMILES for 6-bromo-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole is FC(F)(F)c1ccc(-c2nc3ccc(Br)cc3[nH]2)nc1.
What is the InChIKey of 6-bromo-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole?
The InChIKey is YABCXGNHECKDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrF3N3/c14-8-2-4-9-11(5-8)20-12(19-9)10-3-1-7(6-18-10)13(15,16)17/h1-6H,(H,19,20).
What are the key properties of 6-bromo-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole?
6-bromo-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole has a molecular weight of 342.12 g/mol, XLogP of 4.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole is sourced from PubChem (CID 114909112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).